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

C19H20Cl2N2O — CID 119738121

IUPAC3-amino-N-[bis(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H20Cl2N2O/c20-15-6-1-12(2-7-15)18(13-3-8-16(21)9-4-13)23-19(24)14-5-10-17(22)11-14/h1-4,6-9,14,17-18H,5,10-11,22H2,(H,23,24)
InChIKeyBXVPGINHXXVGAY-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.33
Rot. Bonds4

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

3-amino-N-[bis(4-chlorophenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 119738121) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 3-amino-N-[bis(4-chlorophenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[bis(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
PubChem CID119738121
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name3-amino-N-[bis(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H20Cl2N2O/c20-15-6-1-12(2-7-15)18(13-3-8-16(21)9-4-13)23-19(24)14-5-10-17(22)11-14/h1-4,6-9,14,17-18H,5,10-11,22H2,(H,23,24)
InChIKeyBXVPGINHXXVGAY-UHFFFAOYSA-N
XLogP4.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119746414
3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide
CID 119746415
3-amino-N-[(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 119803306
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
3-amino-N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119806095
3-amino-N-[(3-chlorophenyl)-phenylmethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119736446
3-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide
CID 119803119
3-amino-N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
CID 119796993
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102
3-amino-N-[1-(4-chlorophenyl)cyclopentyl]cyclopentane-1-carboxamide;hydrochloride
CID 119766556
2-[[(4-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975095
3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide
CID 119697972

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[bis(4-chlorophenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[bis(4-chlorophenyl)methyl]cyclopentane-1-carboxamide (CID 119738121) is 3-amino-N-[bis(4-chlorophenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[bis(4-chlorophenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[bis(4-chlorophenyl)methyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-amino-N-[bis(4-chlorophenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is BXVPGINHXXVGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c20-15-6-1-12(2-7-15)18(13-3-8-16(21)9-4-13)23-19(24)14-5-10-17(22)11-14/h1-4,6-9,14,17-18H,5,10-11,22H2,(H,23,24).
What are the key properties of 3-amino-N-[bis(4-chlorophenyl)methyl]cyclopentane-1-carboxamide?
3-amino-N-[bis(4-chlorophenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 363.29 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[bis(4-chlorophenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119738121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).