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

C12H13Cl2FN2O — CID 107574334

IUPAC2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide
SMILESNC1CCCC1C(=O)Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C12H13Cl2FN2O/c13-8-4-6(5-9(14)11(8)15)17-12(18)7-2-1-3-10(7)16/h4-5,7,10H,1-3,16H2,(H,17,18)
InChIKeyBHZPHPWRZSVSRP-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.20
Rot. Bonds2

About 2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide

2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 107574334) has the molecular formula C12H13Cl2FN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID107574334
Molecular FormulaC12H13Cl2FN2O
Molecular Weight291.15 g/mol
Exact Mass290.04
IUPAC Name2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide
SMILESNC1CCCC1C(=O)Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C12H13Cl2FN2O/c13-8-4-6(5-9(14)11(8)15)17-12(18)7-2-1-3-10(7)16/h4-5,7,10H,1-3,16H2,(H,17,18)
InChIKeyBHZPHPWRZSVSRP-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
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

5-[(2-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide
CID 64823543
2-amino-N-(3-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide
CID 107679949
2-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670661
cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 163395275
2-amino-N-(3-chloro-4-ethoxyphenyl)cyclopentane-1-carboxamide
CID 64823769
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 64822097
2-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
CID 64817565
2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64822915
2-amino-N-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 64817381
2-amino-N-(4-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64825119
2-[(3,5-dichloro-4-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 107571616
2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 64822966

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide (CID 107574334) is 2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide is NC1CCCC1C(=O)Nc1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is BHZPHPWRZSVSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2FN2O/c13-8-4-6(5-9(14)11(8)15)17-12(18)7-2-1-3-10(7)16/h4-5,7,10H,1-3,16H2,(H,17,18).
What are the key properties of 2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide?
2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 291.15 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 107574334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).