2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide

C16H22ClNO2 — CID 9084409

IUPAC2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)N[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C16H22ClNO2/c1-11-5-3-4-6-14(11)18-16(19)10-12-9-13(17)7-8-15(12)20-2/h7-9,11,14H,3-6,10H2,1-2H3,(H,18,19)/t11-,14-/m0/s1
InChIKeyGGTFBYQHKZZOPF-FZMZJTMJSA-N
MW295.81 g/mol
LogP3.59
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide

2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide (PubChem CID 9084409) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
PubChem CID9084409
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)N[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C16H22ClNO2/c1-11-5-3-4-6-14(11)18-16(19)10-12-9-13(17)7-8-15(12)20-2/h7-9,11,14H,3-6,10H2,1-2H3,(H,18,19)/t11-,14-/m0/s1
InChIKeyGGTFBYQHKZZOPF-FZMZJTMJSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 41286675
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9136682
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9136688
N-[2-(aminomethyl)cyclopentyl]-2-(5-chloro-2-methoxyphenyl)acetamide
CID 119600550
1-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-3-[(1S,2R,3S)-2,3-dimethylcyclohexyl]thiourea
CID 11936436
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9222495
N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9084467
2-(5-chloro-2-methoxyphenyl)-N-cyclopentyloxyacetamide
CID 83202101
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7667186
(2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 11933594
1-[(5-chloro-2-methoxybenzoyl)amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8728826
1-[(5-chloro-2-methoxybenzoyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8728831

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide (CID 9084409) is 2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide is COc1ccc(Cl)cc1CC(=O)N[C@H]1CCCC[C@@H]1C.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is GGTFBYQHKZZOPF-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-11-5-3-4-6-14(11)18-16(19)10-12-9-13(17)7-8-15(12)20-2/h7-9,11,14H,3-6,10H2,1-2H3,(H,18,19)/t11-,14-/m0/s1.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 295.81 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 9084409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).