2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide

C16H23ClN2O2 — CID 104677385

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CC2(CN)CCCCC2)cc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-21-14-6-5-12(9-13(14)17)19-15(20)10-16(11-18)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-11,18H2,1H3,(H,19,20)
InChIKeyNRNWBCSWZHMKQX-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.59
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 104677385) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID104677385
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CC2(CN)CCCCC2)cc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-21-14-6-5-12(9-13(14)17)19-15(20)10-16(11-18)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-11,18H2,1H3,(H,19,20)
InChIKeyNRNWBCSWZHMKQX-UHFFFAOYSA-N
XLogP3.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396507
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
2-[1-(aminomethyl)cyclohexyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 104677454
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide
CID 108942612
N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458949
N'-(3-chloro-4-methoxyphenyl)-N-cycloheptylpropanediamide
CID 108951592
1-(3-chloro-4-methoxyanilino)cyclopentane-1-carboxylic acid
CID 71564864
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674752
N-(3-chloro-4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942046
2-[1-[2-(4-chloro-3-methoxycarbonylanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 56807913
N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 80702831

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide (CID 104677385) is 2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CC2(CN)CCCCC2)cc1Cl.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is NRNWBCSWZHMKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-21-14-6-5-12(9-13(14)17)19-15(20)10-16(11-18)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-11,18H2,1H3,(H,19,20).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 310.82 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 104677385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).