N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide

C16H16ClNO3 — CID 795808

IUPACN-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C16H16ClNO3/c1-10-14(17)5-4-6-15(10)18-16(19)11-7-12(20-2)9-13(8-11)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyGIZCLGGNGCMOMS-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.92
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide

N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide (PubChem CID 795808) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
PubChem CID795808
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC NameN-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C16H16ClNO3/c1-10-14(17)5-4-6-15(10)18-16(19)11-7-12(20-2)9-13(8-11)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyGIZCLGGNGCMOMS-UHFFFAOYSA-N
XLogP3.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884459
N-(3-chloro-2-methylphenyl)-3-phenoxybenzamide
CID 2092667
3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide
CID 4557659
N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 112997742
6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100872
1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975702
N-(3-chloro-2-methylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109268932
N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide
CID 886785
3-chloro-N-(3-chloro-2-methylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 1013923
N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide
CID 114298485

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide (CID 795808) is N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2cccc(Cl)c2C)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide?
The InChIKey is GIZCLGGNGCMOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10-14(17)5-4-6-15(10)18-16(19)11-7-12(20-2)9-13(8-11)21-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide?
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide has a molecular weight of 305.76 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 795808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).