2-[4-(3,4-dichlorobenzamido)-3-methylbenzamido]benzoic acid

2-[4-(3,4-dichlorobenzamido)-3-methylbenzamido]benzoic acid

Formula: C22H16Cl2N2O4

SMILES: CC1=CC(=CC=C1NC(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)NC1=CC=CC=C1C(O)=O

IUPAC: 2-[4-(3,4-dichlorobenzamido)-3-methylbenzamido]benzoic acid

InChI: InChI=1S/C22H16Cl2N2O4/c1-12-10-13(20(27)26-19-5-3-2-4-15(19)22(29)30)7-9-18(12)25-21(28)14-6-8-16(23)17(24)11-14/h2-11H,1H3,(H,25,28)(H,26,27)(H,29,30)

Composition: C (59.61%), H (3.64%), Cl (15.99%), N (6.32%), O (14.44%)

Molar Mass: 443.28

Atom Count: 46

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	442.0487124
Formal Charge	0
FSP3	0.05
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	HLKDFAPFFJWNLY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	119.03
Topological Polar Surface Area	95.5
Polarizability	43.47
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H16Cl2N2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00