N-[(R)-(3-chlorophenyl)-cyanomethyl]-2,3-dimethoxybenzamide

C17H15ClN2O3 — CID 96549369

IUPACN-[(R)-(3-chlorophenyl)-cyanomethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2)c1OC
InChIInChI=1S/C17H15ClN2O3/c1-22-15-8-4-7-13(16(15)23-2)17(21)20-14(10-19)11-5-3-6-12(18)9-11/h3-9,14H,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyLZXUPFXYBWDDEH-AWEZNQCLSA-N
MW330.77 g/mol
LogP3.35
Rot. Bonds5

About N-[(R)-(3-chlorophenyl)-cyanomethyl]-2,3-dimethoxybenzamide

N-[(R)-(3-chlorophenyl)-cyanomethyl]-2,3-dimethoxybenzamide (PubChem CID 96549369) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is N-[(R)-(3-chlorophenyl)-cyanomethyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(R)-(3-chlorophenyl)-cyanomethyl]-2,3-dimethoxybenzamide
PubChem CID96549369
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC NameN-[(R)-(3-chlorophenyl)-cyanomethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2)c1OC
InChIInChI=1S/C17H15ClN2O3/c1-22-15-8-4-7-13(16(15)23-2)17(21)20-14(10-19)11-5-3-6-12(18)9-11/h3-9,14H,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyLZXUPFXYBWDDEH-AWEZNQCLSA-N
XLogP3.35
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(R)-(3-chlorophenyl)-cyanomethyl]-2,3-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)-cyanomethyl]-3-ethylpyridine-4-carboxamide
CID 75504607
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039
2-(3-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetonitrile
CID 110350109
4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide
CID 60717552
N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
CID 912340
(2S)-2-(3-chlorophenyl)-2-(methylamino)acetonitrile
CID 28699729
2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide
CID 685432
3-[(2,3-dimethoxybenzoyl)amino]butanoic acid
CID 43240642
2,3-dimethoxy-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 837030
2,3-dimethoxy-N-sulfanylbenzamide
CID 71771535
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
N-[(3-chlorophenyl)-cyanomethyl]-4-hydroxy-3-nitrobenzamide
CID 75504897

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3-chlorophenyl)-cyanomethyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[(R)-(3-chlorophenyl)-cyanomethyl]-2,3-dimethoxybenzamide (CID 96549369) is N-[(R)-(3-chlorophenyl)-cyanomethyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[(R)-(3-chlorophenyl)-cyanomethyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[(R)-(3-chlorophenyl)-cyanomethyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2)c1OC.
What is the InChIKey of N-[(R)-(3-chlorophenyl)-cyanomethyl]-2,3-dimethoxybenzamide?
The InChIKey is LZXUPFXYBWDDEH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-22-15-8-4-7-13(16(15)23-2)17(21)20-14(10-19)11-5-3-6-12(18)9-11/h3-9,14H,1-2H3,(H,20,21)/t14-/m0/s1.
What are the key properties of N-[(R)-(3-chlorophenyl)-cyanomethyl]-2,3-dimethoxybenzamide?
N-[(R)-(3-chlorophenyl)-cyanomethyl]-2,3-dimethoxybenzamide has a molecular weight of 330.77 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3-chlorophenyl)-cyanomethyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 96549369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).