1-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride

C14H19Cl2FN2O — CID 86779775

IUPAC1-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
SMILESCN(Cc1ccc(F)cc1Cl)C(=O)C1(N)CCCC1.Cl
InChIInChI=1S/C14H18ClFN2O.ClH/c1-18(13(19)14(17)6-2-3-7-14)9-10-4-5-11(16)8-12(10)15;/h4-5,8H,2-3,6-7,9,17H2,1H3;1H
InChIKeyFOOFUJLPKWMFAA-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.13
Rot. Bonds3

About 1-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride

1-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 86779775) has the molecular formula C14H19Cl2FN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
PubChem CID86779775
Molecular FormulaC14H19Cl2FN2O
Molecular Weight321.22 g/mol
Exact Mass320.09
IUPAC Name1-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
SMILESCN(Cc1ccc(F)cc1Cl)C(=O)C1(N)CCCC1.Cl
InChIInChI=1S/C14H18ClFN2O.ClH/c1-18(13(19)14(17)6-2-3-7-14)9-10-4-5-11(16)8-12(10)15;/h4-5,8H,2-3,6-7,9,17H2,1H3;1H
InChIKeyFOOFUJLPKWMFAA-UHFFFAOYSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119278393
1-amino-N-[(4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119268138
N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide
CID 166179956
2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119320659
1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol
CID 77090783
1-amino-N-[(4-chlorophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60938892
1-amino-N-[(2,4-dimethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119267645
(1-aminocyclopentyl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119853344
1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 119297970
1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65466557
trans-(1S,3S)-3-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 124685000
1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190020

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride (CID 86779775) is 1-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride is CN(Cc1ccc(F)cc1Cl)C(=O)C1(N)CCCC1.Cl.
What is the InChIKey of 1-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is FOOFUJLPKWMFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O.ClH/c1-18(13(19)14(17)6-2-3-7-14)9-10-4-5-11(16)8-12(10)15;/h4-5,8H,2-3,6-7,9,17H2,1H3;1H.
What are the key properties of 1-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 321.22 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 86779775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).