3-amino-N-[(4-chlorophenyl)methyl]-N-phenylcyclopentane-1-carboxamide

C19H21ClN2O — CID 119749158

IUPAC3-amino-N-[(4-chlorophenyl)methyl]-N-phenylcyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2)C1
InChIInChI=1S/C19H21ClN2O/c20-16-9-6-14(7-10-16)13-22(18-4-2-1-3-5-18)19(23)15-8-11-17(21)12-15/h1-7,9-10,15,17H,8,11-13,21H2
InChIKeyZCWPCAIHWKDVDN-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.00
Rot. Bonds4

About 3-amino-N-[(4-chlorophenyl)methyl]-N-phenylcyclopentane-1-carboxamide

3-amino-N-[(4-chlorophenyl)methyl]-N-phenylcyclopentane-1-carboxamide (PubChem CID 119749158) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 3-amino-N-[(4-chlorophenyl)methyl]-N-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-chlorophenyl)methyl]-N-phenylcyclopentane-1-carboxamide
PubChem CID119749158
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name3-amino-N-[(4-chlorophenyl)methyl]-N-phenylcyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2)C1
InChIInChI=1S/C19H21ClN2O/c20-16-9-6-14(7-10-16)13-22(18-4-2-1-3-5-18)19(23)15-8-11-17(21)12-15/h1-7,9-10,15,17H,8,11-13,21H2
InChIKeyZCWPCAIHWKDVDN-UHFFFAOYSA-N
XLogP4.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
CID 124591120
3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide
CID 119807478
cis-(1R,3S)-3-amino-N-[(4-chlorophenyl)methyl]-N-(3-hydroxypropyl)cyclopentane-1-carboxamide
CID 133130182
N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-phenylacetamide
CID 91802129
2-amino-N-[(4-chlorophenyl)methyl]-N-phenylacetamide
CID 39373717
3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide
CID 119783021
3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119675945
3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid
CID 63046094
3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119676287
3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid
CID 61159722
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 84584678

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-chlorophenyl)methyl]-N-phenylcyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(4-chlorophenyl)methyl]-N-phenylcyclopentane-1-carboxamide (CID 119749158) is 3-amino-N-[(4-chlorophenyl)methyl]-N-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-chlorophenyl)methyl]-N-phenylcyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(4-chlorophenyl)methyl]-N-phenylcyclopentane-1-carboxamide is NC1CCC(C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2)C1.
What is the InChIKey of 3-amino-N-[(4-chlorophenyl)methyl]-N-phenylcyclopentane-1-carboxamide?
The InChIKey is ZCWPCAIHWKDVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-16-9-6-14(7-10-16)13-22(18-4-2-1-3-5-18)19(23)15-8-11-17(21)12-15/h1-7,9-10,15,17H,8,11-13,21H2.
What are the key properties of 3-amino-N-[(4-chlorophenyl)methyl]-N-phenylcyclopentane-1-carboxamide?
3-amino-N-[(4-chlorophenyl)methyl]-N-phenylcyclopentane-1-carboxamide has a molecular weight of 328.84 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-chlorophenyl)methyl]-N-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 119749158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).