N-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide

C16H23ClN2O — CID 65240524

IUPACN-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)Nc2ccc(C)c(Cl)c2)CCCCC1
InChIInChI=1S/C16H23ClN2O/c1-12-6-7-13(10-14(12)17)19-15(20)11-16(18-2)8-4-3-5-9-16/h6-7,10,18H,3-5,8-9,11H2,1-2H3,(H,19,20)
InChIKeyMCVWNPVANGKALX-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.90
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide

N-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide (PubChem CID 65240524) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide
PubChem CID65240524
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)Nc2ccc(C)c(Cl)c2)CCCCC1
InChIInChI=1S/C16H23ClN2O/c1-12-6-7-13(10-14(12)17)19-15(20)11-16(18-2)8-4-3-5-9-16/h6-7,10,18H,3-5,8-9,11H2,1-2H3,(H,19,20)
InChIKeyMCVWNPVANGKALX-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240820
N-(4-chloro-3-fluorophenyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242628
2-[1-(methylamino)cyclohexyl]-N-(3-methylphenyl)acetamide
CID 65240773
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240483
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
N-(1-benzothiophen-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242293
N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942043
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide
CID 108951589
N-(3-chloro-4-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7535920
1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine
CID 104721790

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide (CID 65240524) is N-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide is CNC1(CC(=O)Nc2ccc(C)c(Cl)c2)CCCCC1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The InChIKey is MCVWNPVANGKALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12-6-7-13(10-14(12)17)19-15(20)11-16(18-2)8-4-3-5-9-16/h6-7,10,18H,3-5,8-9,11H2,1-2H3,(H,19,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide has a molecular weight of 294.83 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 65240524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).