3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride

C14H20Cl2N2O2 — CID 119807515

IUPAC3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccc(N(C)C(=O)C2CCC(N)C2)cc1Cl.Cl
InChIInChI=1S/C14H19ClN2O2.ClH/c1-17(14(18)9-3-4-10(16)7-9)11-5-6-13(19-2)12(15)8-11;/h5-6,8-10H,3-4,7,16H2,1-2H3;1H
InChIKeyNJSXOJWGZPBHKI-UHFFFAOYSA-N
MW319.23 g/mol
LogP2.86
Rot. Bonds3

About 3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride

3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 119807515) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
PubChem CID119807515
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccc(N(C)C(=O)C2CCC(N)C2)cc1Cl.Cl
InChIInChI=1S/C14H19ClN2O2.ClH/c1-17(14(18)9-3-4-10(16)7-9)11-5-6-13(19-2)12(15)8-11;/h5-6,8-10H,3-4,7,16H2,1-2H3;1H
InChIKeyNJSXOJWGZPBHKI-UHFFFAOYSA-N
XLogP2.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chloro-4-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674248
1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119807505
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
N-(3-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119337207
1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
CID 119337228
4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928597
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-4-carboxamide
CID 100800008
3-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylcyclobutane-1-carboxamide
CID 115161427
1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182589
N-(3-chloro-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807540
(2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide
CID 120637188
N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 140562387

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride (CID 119807515) is 3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride is COc1ccc(N(C)C(=O)C2CCC(N)C2)cc1Cl.Cl.
What is the InChIKey of 3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is NJSXOJWGZPBHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2.ClH/c1-17(14(18)9-3-4-10(16)7-9)11-5-6-13(19-2)12(15)8-11;/h5-6,8-10H,3-4,7,16H2,1-2H3;1H.
What are the key properties of 3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride?
3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 319.23 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119807515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).