3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide

C16H22ClNO3 — CID 9403796

IUPAC3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide
SMILESCOc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)cc(Cl)c1OC
InChIInChI=1S/C16H22ClNO3/c1-10-6-4-5-7-13(10)18-16(19)11-8-12(17)15(21-3)14(9-11)20-2/h8-10,13H,4-7H2,1-3H3,(H,18,19)/t10-,13-/m0/s1
InChIKeyDILGQEFGOHRQQE-GWCFXTLKSA-N
MW311.81 g/mol
LogP3.67
Rot. Bonds4

About 3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide

3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide (PubChem CID 9403796) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide
PubChem CID9403796
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide
SMILESCOc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)cc(Cl)c1OC
InChIInChI=1S/C16H22ClNO3/c1-10-6-4-5-7-13(10)18-16(19)11-8-12(17)15(21-3)14(9-11)20-2/h8-10,13H,4-7H2,1-3H3,(H,18,19)/t10-,13-/m0/s1
InChIKeyDILGQEFGOHRQQE-GWCFXTLKSA-N
XLogP3.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide 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

3-chloro-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-4,5-dimethoxybenzamide
CID 7887810
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681472
3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide
CID 59356103
1-[(1S,2R)-2-methylcyclohexyl]-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea
CID 8624992
3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365
4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide
CID 82070566
3,5-dichloro-N-[(1S,2S)-2-methylcyclohexyl]-4-(3-propylsulfanylpropoxy)benzamide
CID 58057952
5-methoxy-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 51200423
3-chloro-4-ethoxy-5-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120558006
3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 25415149
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 11911251
3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide
CID 103751365

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide (CID 9403796) is 3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide is COc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide?
The InChIKey is DILGQEFGOHRQQE-GWCFXTLKSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-10-6-4-5-7-13(10)18-16(19)11-8-12(17)15(21-3)14(9-11)20-2/h8-10,13H,4-7H2,1-3H3,(H,18,19)/t10-,13-/m0/s1.
What are the key properties of 3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide?
3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide has a molecular weight of 311.81 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide is sourced from PubChem (CID 9403796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).