3,5-dinitro-N-[(1R)-1-phenylethyl]benzamide

3,5-dinitro-N-[(1R)-1-phenylethyl]benzamide

CAS: 69632-32-2

Formula: C15H13N3O5

SMILES: C[C@@H](NC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O)C1=CC=CC=C1

IUPAC: 3,5-dinitro-N-[(1R)-1-phenylethyl]benzamide

InChI: InChI=1S/C15H13N3O5/c1-10(11-5-3-2-4-6-11)16-15(19)12-7-13(17(20)21)9-14(8-12)18(22)23/h2-10H,1H3,(H,16,19)/t10-/m1/s1

Composition: C (57.14%), H (4.16%), N (13.33%), O (25.37%)

Molar Mass: 315.285

Atom Count: 36

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	315.085520531
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	ABEVDCGKLRIYRW-SNVBAGLBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.71
Topological Polar Surface Area	115.38
Polarizability	30.25
Ring Count	2
Rotatable Bond Count	5

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