N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide

C16H23ClN2O — CID 43078612

IUPACN-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
SMILESCC1CCCC(NCC(=O)Nc2ccc(Cl)cc2)C1C
InChIInChI=1S/C16H23ClN2O/c1-11-4-3-5-15(12(11)2)18-10-16(20)19-14-8-6-13(17)7-9-14/h6-9,11-12,15,18H,3-5,10H2,1-2H3,(H,19,20)
InChIKeyKJKFFQPTOPRTBN-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.69
Rot. Bonds4

About N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide

N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide (PubChem CID 43078612) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
PubChem CID43078612
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
SMILESCC1CCCC(NCC(=O)Nc2ccc(Cl)cc2)C1C
InChIInChI=1S/C16H23ClN2O/c1-11-4-3-5-15(12(11)2)18-10-16(20)19-14-8-6-13(17)7-9-14/h6-9,11-12,15,18H,3-5,10H2,1-2H3,(H,19,20)
InChIKeyKJKFFQPTOPRTBN-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-[[2-(hydroxymethyl)cyclopentyl]amino]acetamide
CID 106360931
N-(4-chlorophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide
CID 63995689
N-(4-chloro-2-nitrophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 112770341
2-[(2-methylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 43179972
2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide
CID 43180111
N-(4-chlorophenyl)-2-[(2,6-dimethylpiperidin-1-yl)amino]acetamide
CID 83021450
N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide
CID 11939615
methyl 3-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzoate
CID 112770322
N-(4-chlorophenyl)-2-(cyclohexylamino)acetamide
CID 788648
N-(4-chlorophenyl)-2-[(1,3-dimethylpiperidin-4-yl)amino]acetamide
CID 115713823
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9167461
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 11903811

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide (CID 43078612) is N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide is CC1CCCC(NCC(=O)Nc2ccc(Cl)cc2)C1C.
What is the InChIKey of N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide?
The InChIKey is KJKFFQPTOPRTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-4-3-5-15(12(11)2)18-10-16(20)19-14-8-6-13(17)7-9-14/h6-9,11-12,15,18H,3-5,10H2,1-2H3,(H,19,20).
What are the key properties of N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide?
N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide has a molecular weight of 294.83 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide is sourced from PubChem (CID 43078612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).