N-(3-chloro-2-methylphenyl)-2-[[(1S,2R)-2-methylcyclohexyl]amino]acetamide

C16H23ClN2O — CID 8009217

IUPACN-(3-chloro-2-methylphenyl)-2-[[(1S,2R)-2-methylcyclohexyl]amino]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN[C@H]1CCCC[C@H]1C
InChIInChI=1S/C16H23ClN2O/c1-11-6-3-4-8-14(11)18-10-16(20)19-15-9-5-7-13(17)12(15)2/h5,7,9,11,14,18H,3-4,6,8,10H2,1-2H3,(H,19,20)/t11-,14+/m1/s1
InChIKeyHJCZAXHJTSFZEY-RISCZKNCSA-N
MW294.83 g/mol
LogP3.76
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-[[(1S,2R)-2-methylcyclohexyl]amino]acetamide

N-(3-chloro-2-methylphenyl)-2-[[(1S,2R)-2-methylcyclohexyl]amino]acetamide (PubChem CID 8009217) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[[(1S,2R)-2-methylcyclohexyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[[(1S,2R)-2-methylcyclohexyl]amino]acetamide
PubChem CID8009217
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[[(1S,2R)-2-methylcyclohexyl]amino]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN[C@H]1CCCC[C@H]1C
InChIInChI=1S/C16H23ClN2O/c1-11-6-3-4-8-14(11)18-10-16(20)19-15-9-5-7-13(17)12(15)2/h5,7,9,11,14,18H,3-4,6,8,10H2,1-2H3,(H,19,20)/t11-,14+/m1/s1
InChIKeyHJCZAXHJTSFZEY-RISCZKNCSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-[[2-[(2-methylcyclopentyl)amino]acetyl]amino]benzoic acid
CID 103251317
2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(2-phenoxyphenyl)acetamide
CID 8965725
2-[(2-methylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 43179972
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-2-(3-cyclopentyloxyanilino)acetamide
CID 37231284
N-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide
CID 82725585
1-(3-chloro-2-methylphenyl)-3-[(1R,2S,3S)-2,3-dimethylcyclohexyl]thiourea
CID 11920775
N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide
CID 1133388
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]-cyclooctylazanium
CID 9444236
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[[(1S,2R)-2-methylcyclohexyl]amino]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[[(1S,2R)-2-methylcyclohexyl]amino]acetamide (CID 8009217) is N-(3-chloro-2-methylphenyl)-2-[[(1S,2R)-2-methylcyclohexyl]amino]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[[(1S,2R)-2-methylcyclohexyl]amino]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[[(1S,2R)-2-methylcyclohexyl]amino]acetamide is Cc1c(Cl)cccc1NC(=O)CN[C@H]1CCCC[C@H]1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[[(1S,2R)-2-methylcyclohexyl]amino]acetamide?
The InChIKey is HJCZAXHJTSFZEY-RISCZKNCSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-6-3-4-8-14(11)18-10-16(20)19-15-9-5-7-13(17)12(15)2/h5,7,9,11,14,18H,3-4,6,8,10H2,1-2H3,(H,19,20)/t11-,14+/m1/s1.
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[[(1S,2R)-2-methylcyclohexyl]amino]acetamide?
N-(3-chloro-2-methylphenyl)-2-[[(1S,2R)-2-methylcyclohexyl]amino]acetamide has a molecular weight of 294.83 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[[(1S,2R)-2-methylcyclohexyl]amino]acetamide is sourced from PubChem (CID 8009217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).