1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid

C13H13BrFNO3 — CID 43329492

IUPAC1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C13H13BrFNO3/c14-8-3-4-9(10(15)7-8)11(17)16-13(12(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,16,17)(H,18,19)
InChIKeyVKFKCAYEZLCOAW-UHFFFAOYSA-N
MW330.15 g/mol
LogP2.72
Rot. Bonds3

About 1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid

1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43329492) has the molecular formula C13H13BrFNO3 and a molecular weight of 330.15 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43329492
Molecular FormulaC13H13BrFNO3
Molecular Weight330.15 g/mol
Exact Mass329.01
IUPAC Name1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C13H13BrFNO3/c14-8-3-4-9(10(15)7-8)11(17)16-13(12(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,16,17)(H,18,19)
InChIKeyVKFKCAYEZLCOAW-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329545
1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24708713
1-[[4-bromo-2-(trifluoromethyl)benzoyl]amino]cyclobutane-1-carboxylic acid
CID 107332634
1-[(2-bromo-4-chlorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 107986460
1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018
1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 114368106
1-[(3-fluoropyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 64950656
1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107013377
1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61202086
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329570
1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 61158524
1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43341197

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid (CID 43329492) is 1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1ccc(Br)cc1F.
What is the InChIKey of 1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is VKFKCAYEZLCOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO3/c14-8-3-4-9(10(15)7-8)11(17)16-13(12(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,16,17)(H,18,19).
What are the key properties of 1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 330.15 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43329492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).