3-amino-N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

C19H20Cl2F2N2O — CID 119806095

IUPAC3-amino-N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NC(c2cc(F)ccc2F)c2ccccc2Cl)C1
InChIInChI=1S/C19H19ClF2N2O.ClH/c20-16-4-2-1-3-14(16)18(15-10-12(21)6-8-17(15)22)24-19(25)11-5-7-13(23)9-11;/h1-4,6,8,10-11,13,18H,5,7,9,23H2,(H,24,25);1H
InChIKeyLABNNPMNFKYOAI-UHFFFAOYSA-N
MW401.28 g/mol
LogP4.37
Rot. Bonds4

About 3-amino-N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119806095) has the molecular formula C19H20Cl2F2N2O and a molecular weight of 401.28 g/mol. Its IUPAC name is 3-amino-N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119806095
Molecular FormulaC19H20Cl2F2N2O
Molecular Weight401.28 g/mol
Exact Mass400.09
IUPAC Name3-amino-N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NC(c2cc(F)ccc2F)c2ccccc2Cl)C1
InChIInChI=1S/C19H19ClF2N2O.ClH/c20-16-4-2-1-3-14(16)18(15-10-12(21)6-8-17(15)22)24-19(25)11-5-7-13(23)9-11;/h1-4,6,8,10-11,13,18H,5,7,9,23H2,(H,24,25);1H
InChIKeyLABNNPMNFKYOAI-UHFFFAOYSA-N
XLogP4.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.28
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 119803306
N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 119806108
3-amino-N-[bis(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 119738121
3-amino-N-[2-(2-chlorophenyl)-2-hydroxyethyl]cyclopentane-1-carboxamide
CID 154759854
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81365977
3-amino-N-[1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66008581
3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119746414
N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]-2,4-dihydroxybenzamide
CID 167778996
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-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119786045
cis-(1S,3R)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 124678581

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119806095) is 3-amino-N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)NC(c2cc(F)ccc2F)c2ccccc2Cl)C1.
What is the InChIKey of 3-amino-N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is LABNNPMNFKYOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N2O.ClH/c20-16-4-2-1-3-14(16)18(15-10-12(21)6-8-17(15)22)24-19(25)11-5-7-13(23)9-11;/h1-4,6,8,10-11,13,18H,5,7,9,23H2,(H,24,25);1H.
What are the key properties of 3-amino-N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 401.28 g/mol, XLogP of 4.37, 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)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119806095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).