1-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide

C8H13BrF2N2O — CID 130551943

IUPAC1-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCC(F)(F)Br)CCCC1
InChIInChI=1S/C8H13BrF2N2O/c9-8(10,11)5-13-6(14)7(12)3-1-2-4-7/h1-5,12H2,(H,13,14)
InChIKeyRFBRGECPAOHJJV-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.36
Rot. Bonds3

About 1-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide

1-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide (PubChem CID 130551943) has the molecular formula C8H13BrF2N2O and a molecular weight of 271.11 g/mol. Its IUPAC name is 1-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide
PubChem CID130551943
Molecular FormulaC8H13BrF2N2O
Molecular Weight271.11 g/mol
Exact Mass270.02
IUPAC Name1-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCC(F)(F)Br)CCCC1
InChIInChI=1S/C8H13BrF2N2O/c9-8(10,11)5-13-6(14)7(12)3-1-2-4-7/h1-5,12H2,(H,13,14)
InChIKeyRFBRGECPAOHJJV-UHFFFAOYSA-N
XLogP1.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119291003
1-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxamide
CID 119297008
1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride
CID 119322435
1-amino-N-(2,2,4-trimethylpentyl)cyclopentane-1-carboxamide;hydrochloride
CID 119344457
N-(2-bromo-2,2-difluoroethyl)-3-methylazetidine-3-carboxamide
CID 130901596
1-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119276278
1-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830623
1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279337
1-amino-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60867408
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747
1-amino-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide;hydrochloride
CID 119279539
N-(2-bromo-2,2-difluoroethyl)cyclobutanecarboxamide
CID 131020411

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide (CID 130551943) is 1-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide is NC1(C(=O)NCC(F)(F)Br)CCCC1.
What is the InChIKey of 1-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide?
The InChIKey is RFBRGECPAOHJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrF2N2O/c9-8(10,11)5-13-6(14)7(12)3-1-2-4-7/h1-5,12H2,(H,13,14).
What are the key properties of 1-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide?
1-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide has a molecular weight of 271.11 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 130551943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).