3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide

C12H14BrFN2O — CID 103808505

IUPAC3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cc(F)ccc2Br)C1
InChIInChI=1S/C12H14BrFN2O/c13-10-4-2-8(14)6-11(10)16-12(17)7-1-3-9(15)5-7/h2,4,6-7,9H,1,3,5,15H2,(H,16,17)
InChIKeyUMRJUPBKVQADON-UHFFFAOYSA-N
MW301.16 g/mol
LogP2.65
Rot. Bonds2

About 3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide

3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 103808505) has the molecular formula C12H14BrFN2O and a molecular weight of 301.16 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID103808505
Molecular FormulaC12H14BrFN2O
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC Name3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cc(F)ccc2Br)C1
InChIInChI=1S/C12H14BrFN2O/c13-10-4-2-8(14)6-11(10)16-12(17)7-1-3-9(15)5-7/h2,4,6-7,9H,1,3,5,15H2,(H,16,17)
InChIKeyUMRJUPBKVQADON-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 55147503
3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119752414
3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
CID 55146164
N-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103753587
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide
CID 119702540
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703873
3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269
N-(2-bromo-5-fluorophenyl)oxane-3-carboxamide
CID 103753605
2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid
CID 63047302
3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide
CID 66009400
N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103753355

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide (CID 103808505) is 3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2cc(F)ccc2Br)C1.
What is the InChIKey of 3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is UMRJUPBKVQADON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O/c13-10-4-2-8(14)6-11(10)16-12(17)7-1-3-9(15)5-7/h2,4,6-7,9H,1,3,5,15H2,(H,16,17).
What are the key properties of 3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide?
3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 301.16 g/mol, XLogP of 2.65, 2 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-5-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 103808505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).