1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide

C12H13Cl2FN2O — CID 107574361

IUPAC1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCCC1
InChIInChI=1S/C12H13Cl2FN2O/c13-8-5-7(6-9(14)10(8)15)17-11(18)12(16)3-1-2-4-12/h5-6H,1-4,16H2,(H,17,18)
InChIKeyQIAGBNJVYOKGGA-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.34
Rot. Bonds2

About 1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide

1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 107574361) has the molecular formula C12H13Cl2FN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID107574361
Molecular FormulaC12H13Cl2FN2O
Molecular Weight291.15 g/mol
Exact Mass290.04
IUPAC Name1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCCC1
InChIInChI=1S/C12H13Cl2FN2O/c13-8-5-7(6-9(14)10(8)15)17-11(18)12(16)3-1-2-4-12/h5-6H,1-4,16H2,(H,17,18)
InChIKeyQIAGBNJVYOKGGA-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 107574452
1-amino-N-(3,5-difluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119275249
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide
CID 81179055
1-amino-N-(2,6-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 83079201
1-amino-N-(2-chloro-4,6-difluorophenyl)cyclopentane-1-carboxamide
CID 83087463
1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide
CID 107641668
1-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
CID 29300214
1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide
CID 81167511
1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide
CID 54925189
N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119276950
1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide
CID 43348137

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide (CID 107574361) is 1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide is NC1(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCCC1.
What is the InChIKey of 1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is QIAGBNJVYOKGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2FN2O/c13-8-5-7(6-9(14)10(8)15)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-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide?
1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 291.15 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 107574361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).