2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid

C14H15ClFNO3 — CID 60826007

IUPAC2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(F)cc1Cl)C1CCCC1
InChIInChI=1S/C14H15ClFNO3/c15-12-7-9(16)5-6-11(12)14(20)17(8-13(18)19)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,18,19)
InChIKeyUQZPTLZSKHSLDL-UHFFFAOYSA-N
MW299.73 g/mol
LogP2.95
Rot. Bonds4

About 2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid

2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid (PubChem CID 60826007) has the molecular formula C14H15ClFNO3 and a molecular weight of 299.73 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid
PubChem CID60826007
Molecular FormulaC14H15ClFNO3
Molecular Weight299.73 g/mol
Exact Mass299.07
IUPAC Name2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(F)cc1Cl)C1CCCC1
InChIInChI=1S/C14H15ClFNO3/c15-12-7-9(16)5-6-11(12)14(20)17(8-13(18)19)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,18,19)
InChIKeyUQZPTLZSKHSLDL-UHFFFAOYSA-N
XLogP2.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-4-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
CID 60829976
2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978336
2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid
CID 60826765
2-[(4-chloro-2-fluorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 119211140
N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 63391286
N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide
CID 102872612
N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide
CID 77044484
4-bromo-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 52696658
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 16787456
2-[(2,5-dichlorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 119211299
2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110604
N-cyclopentyl-4-fluoro-N-(2-hydroxyethyl)-2-iodobenzamide
CID 103863295

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid (CID 60826007) is 2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid is O=C(O)CN(C(=O)c1ccc(F)cc1Cl)C1CCCC1.
What is the InChIKey of 2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid?
The InChIKey is UQZPTLZSKHSLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO3/c15-12-7-9(16)5-6-11(12)14(20)17(8-13(18)19)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,18,19).
What are the key properties of 2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid?
2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid has a molecular weight of 299.73 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid is sourced from PubChem (CID 60826007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).