3-amino-N-[(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide

C20H22ClFN2O — CID 119803306

IUPAC3-amino-N-[(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCc1cc(C(NC(=O)C2CCC(N)C2)c2ccccc2Cl)ccc1F
InChIInChI=1S/C20H22ClFN2O/c1-12-10-13(7-9-18(12)22)19(16-4-2-3-5-17(16)21)24-20(25)14-6-8-15(23)11-14/h2-5,7,9-10,14-15,19H,6,8,11,23H2,1H3,(H,24,25)
InChIKeyXBJJUYRUULSILX-UHFFFAOYSA-N
MW360.86 g/mol
LogP4.12
Rot. Bonds4

About 3-amino-N-[(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide

3-amino-N-[(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 119803306) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is 3-amino-N-[(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID119803306
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC Name3-amino-N-[(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCc1cc(C(NC(=O)C2CCC(N)C2)c2ccccc2Cl)ccc1F
InChIInChI=1S/C20H22ClFN2O/c1-12-10-13(7-9-18(12)22)19(16-4-2-3-5-17(16)21)24-20(25)14-6-8-15(23)11-14/h2-5,7,9-10,14-15,19H,6,8,11,23H2,1H3,(H,24,25)
InChIKeyXBJJUYRUULSILX-UHFFFAOYSA-N
XLogP4.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119806095
3-amino-N-[bis(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 119738121
3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119746414
3-amino-N-[(3-chlorophenyl)-phenylmethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119736446
3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide
CID 119746415
3-amino-N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
CID 119796993
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81365977
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 119698450
3-amino-N-[1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66008581
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102
3-amino-N-[2-(2-chlorophenyl)-2-hydroxyethyl]cyclopentane-1-carboxamide
CID 154759854
N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097076

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide (CID 119803306) is 3-amino-N-[(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide is Cc1cc(C(NC(=O)C2CCC(N)C2)c2ccccc2Cl)ccc1F.
What is the InChIKey of 3-amino-N-[(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is XBJJUYRUULSILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c1-12-10-13(7-9-18(12)22)19(16-4-2-3-5-17(16)21)24-20(25)14-6-8-15(23)11-14/h2-5,7,9-10,14-15,19H,6,8,11,23H2,1H3,(H,24,25).
What are the key properties of 3-amino-N-[(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide?
3-amino-N-[(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 360.86 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119803306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).