2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide

C16H16ClNO3 — CID 56715762

IUPAC2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cc(OC)cc(OC)c2)ccc1Cl
InChIInChI=1S/C16H16ClNO3/c1-18-16(19)14-8-10(4-5-15(14)17)11-6-12(20-2)9-13(7-11)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyJFQBHUMRAWVMAP-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.38
Rot. Bonds4

About 2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide

2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide (PubChem CID 56715762) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide
PubChem CID56715762
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cc(OC)cc(OC)c2)ccc1Cl
InChIInChI=1S/C16H16ClNO3/c1-18-16(19)14-8-10(4-5-15(14)17)11-6-12(20-2)9-13(7-11)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyJFQBHUMRAWVMAP-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-5-pyridin-4-ylbenzamide
CID 28809932
5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid
CID 53228184
2-chloro-5-[3-[(1S)-1-methoxyethyl]phenyl]-N-methylbenzamide
CID 95214626
2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide
CID 4878023
2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020390
1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183
3-chloro-N-methylnaphthalene-2-carboxamide
CID 133063253
6-chloro-4-[(3,5-dimethoxybenzoyl)amino]-N-methylpyridine-3-carboxamide
CID 156880859
2-chloro-5-[3-fluoro-5-[(2-methylphenyl)carbamoyl]phenyl]-N-methylbenzamide
CID 169418590
2-chloro-4-(furan-2-yl)-N-methylbenzamide
CID 168525512
(2-chlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 24723148
methyl 2-[(2-chloro-5-methoxybenzoyl)amino]-2-oxoacetate
CID 174480736

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide?
The IUPAC name of 2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide (CID 56715762) is 2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide is CNC(=O)c1cc(-c2cc(OC)cc(OC)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide?
The InChIKey is JFQBHUMRAWVMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-18-16(19)14-8-10(4-5-15(14)17)11-6-12(20-2)9-13(7-11)21-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of 2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide?
2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide has a molecular weight of 305.76 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 56715762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).