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

C8H13BrF2N2O — CID 130551930

IUPAC3-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCC(F)(F)Br)C1
InChIInChI=1S/C8H13BrF2N2O/c9-8(10,11)4-13-7(14)5-1-2-6(12)3-5/h5-6H,1-4,12H2,(H,13,14)
InChIKeyPSEXFBXLPRNBSR-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.22
Rot. Bonds3

About 3-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide

3-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide (PubChem CID 130551930) has the molecular formula C8H13BrF2N2O and a molecular weight of 271.11 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide
PubChem CID130551930
Molecular FormulaC8H13BrF2N2O
Molecular Weight271.11 g/mol
Exact Mass270.02
IUPAC Name3-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCC(F)(F)Br)C1
InChIInChI=1S/C8H13BrF2N2O/c9-8(10,11)4-13-7(14)5-1-2-6(12)3-5/h5-6H,1-4,12H2,(H,13,14)
InChIKeyPSEXFBXLPRNBSR-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
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

cis-(1R,3S)-3-[[1-(trifluoromethyl)cyclobutanecarbonyl]amino]cyclopentane-1-carboxamide
CID 132386394
3,3-difluoro-N-propan-2-ylcyclopentane-1-carboxamide
CID 118332021
N-[(1R,4S)-4-acetyl-2,2-difluorocyclopentyl]acetamide
CID 170580938
N-methyl-3-[(2,2,2-trifluoroacetyl)amino]-1-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 175988400
(3-Aminocyclopentyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 66007497
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 66007515
3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 66007713
3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 66007721
3-amino-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide
CID 66007981
3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 66008556
3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carboxamide
CID 66008948
3-amino-N-[2-(trifluoromethyl)cyclohexyl]cyclopentane-1-carboxamide
CID 66009156

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide (CID 130551930) is 3-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide is NC1CCC(C(=O)NCC(F)(F)Br)C1.
What is the InChIKey of 3-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide?
The InChIKey is PSEXFBXLPRNBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrF2N2O/c9-8(10,11)4-13-7(14)5-1-2-6(12)3-5/h5-6H,1-4,12H2,(H,13,14).
What are the key properties of 3-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide?
3-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide has a molecular weight of 271.11 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 130551930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).