1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride

C20H25Cl2N3O — CID 119300292

IUPAC1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(Nc1ccc(NC(=O)C2(N)CCCC2)cc1Cl)c1ccccc1.Cl
InChIInChI=1S/C20H24ClN3O.ClH/c1-14(15-7-3-2-4-8-15)23-18-10-9-16(13-17(18)21)24-19(25)20(22)11-5-6-12-20;/h2-4,7-10,13-14,23H,5-6,11-12,22H2,1H3,(H,24,25);1H
InChIKeyRAUYZRWGYKKJBB-UHFFFAOYSA-N
MW394.35 g/mol
LogP5.14
Rot. Bonds5

About 1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride

1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119300292) has the molecular formula C20H25Cl2N3O and a molecular weight of 394.35 g/mol. Its IUPAC name is 1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119300292
Molecular FormulaC20H25Cl2N3O
Molecular Weight394.35 g/mol
Exact Mass393.14
IUPAC Name1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(Nc1ccc(NC(=O)C2(N)CCCC2)cc1Cl)c1ccccc1.Cl
InChIInChI=1S/C20H24ClN3O.ClH/c1-14(15-7-3-2-4-8-15)23-18-10-9-16(13-17(18)21)24-19(25)20(22)11-5-6-12-20;/h2-4,7-10,13-14,23H,5-6,11-12,22H2,1H3,(H,24,25);1H
InChIKeyRAUYZRWGYKKJBB-UHFFFAOYSA-N
XLogP5.14
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.35
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide
CID 119743322
N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119276950
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
1-amino-N-(3-chloro-4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 60852453
1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea
CID 52501243
1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119262760
N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119743334
methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride
CID 119329511
N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119300296
3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide
CID 52763720
N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
CID 119300297
3-chloro-4-(1-phenylethylamino)benzoic acid
CID 63088121

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119300292) is 1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride is CC(Nc1ccc(NC(=O)C2(N)CCCC2)cc1Cl)c1ccccc1.Cl.
What is the InChIKey of 1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is RAUYZRWGYKKJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O.ClH/c1-14(15-7-3-2-4-8-15)23-18-10-9-16(13-17(18)21)24-19(25)20(22)11-5-6-12-20;/h2-4,7-10,13-14,23H,5-6,11-12,22H2,1H3,(H,24,25);1H.
What are the key properties of 1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 394.35 g/mol, XLogP of 5.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119300292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).