2-{[1-(3,4-dichlorophenyl)-3-methoxy-3-oxopropyl]carbamoyl}cyclohexane-1-carboxylic acid

2-{[1-(3,4-dichlorophenyl)-3-methoxy-3-oxopropyl]carbamoyl}cyclohexane-1-carboxylic acid

Formula: C18H21Cl2NO5

SMILES: COC(=O)CC(NC(=O)C1CCCCC1C(O)=O)C1=CC=C(Cl)C(Cl)=C1

IUPAC: 2-{[1-(3,4-dichlorophenyl)-3-methoxy-3-oxopropyl]carbamoyl}cyclohexane-1-carboxylic acid

InChI: InChI=1/C18H21Cl2NO5/c1-26-16(22)9-15(10-6-7-13(19)14(20)8-10)21-17(23)11-4-2-3-5-12(11)18(24)25/h6-8,11-12,15H,2-5,9H2,1H3,(H,21,23)(H,24,25)

Composition: C (53.74%), H (5.26%), Cl (17.63%), N (3.48%), O (19.89%)

Molar Mass: 402.27

Atom Count: 47

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	3
Exact Mass	401.0796782
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	YLZTWNDSCCJXGQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.25
Topological Polar Surface Area	92.7
Polarizability	38.11
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H21Cl2NO5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00