1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide

C12H13F3N2O — CID 62816762

IUPAC1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2cc(F)c(F)cc2F)CCCC1
InChIInChI=1S/C12H13F3N2O/c13-7-5-9(15)10(6-8(7)14)17-11(18)12(16)3-1-2-4-12/h5-6H,1-4,16H2,(H,17,18)
InChIKeySEUNKBSXOLAEIE-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.31
Rot. Bonds2

About 1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide

1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide (PubChem CID 62816762) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide
PubChem CID62816762
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2cc(F)c(F)cc2F)CCCC1
InChIInChI=1S/C12H13F3N2O/c13-7-5-9(15)10(6-8(7)14)17-11(18)12(16)3-1-2-4-12/h5-6H,1-4,16H2,(H,17,18)
InChIKeySEUNKBSXOLAEIE-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide
CID 64555084
1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide
CID 54925189
1-amino-N-(2-fluoro-4,5-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 119320413
1-amino-N-(2,4-difluoro-5-nitrophenyl)cyclohexane-1-carboxamide
CID 43709912
1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide
CID 107641668
3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
CID 43706072
1-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119293017
1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 103585988
1-amino-N-(3,5-difluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119275249
1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide
CID 81167511
1-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
CID 29300214
2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide
CID 79853699

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide (CID 62816762) is 1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide is NC1(C(=O)Nc2cc(F)c(F)cc2F)CCCC1.
What is the InChIKey of 1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is SEUNKBSXOLAEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-7-5-9(15)10(6-8(7)14)17-11(18)12(16)3-1-2-4-12/h5-6H,1-4,16H2,(H,17,18).
What are the key properties of 1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide?
1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 258.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 62816762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).