2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid

C15H11ClFNO3 — CID 110453077

IUPAC2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid
SMILESCC(=O)c1ccc(Cl)c(Nc2c(F)cccc2C(=O)O)c1
InChIInChI=1S/C15H11ClFNO3/c1-8(19)9-5-6-11(16)13(7-9)18-14-10(15(20)21)3-2-4-12(14)17/h2-7,18H,1H3,(H,20,21)
InChIKeyGOKMXMHGSBNKNC-UHFFFAOYSA-N
MW307.71 g/mol
LogP4.12
Rot. Bonds4

About 2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid

2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid (PubChem CID 110453077) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is 2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid
PubChem CID110453077
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC Name2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid
SMILESCC(=O)c1ccc(Cl)c(Nc2c(F)cccc2C(=O)O)c1
InChIInChI=1S/C15H11ClFNO3/c1-8(19)9-5-6-11(16)13(7-9)18-14-10(15(20)21)3-2-4-12(14)17/h2-7,18H,1H3,(H,20,21)
InChIKeyGOKMXMHGSBNKNC-UHFFFAOYSA-N
XLogP4.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid
CID 66257062
2-(2,5-dimethylanilino)-3-fluorobenzoic acid
CID 63538460
3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid
CID 63538858
2-(4-bromo-2,3-dichloroanilino)-3-fluorobenzoic acid
CID 107791147
4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 8973586
2-(chloroamino)-3-fluorobenzoic acid
CID 139823776
3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid
CID 79766985
3-chloro-2-(2-chloroanilino)benzoic acid
CID 615153
2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid
CID 62648655
4-(2,5-dichloroanilino)-3,5-difluorobenzoic acid
CID 63528498
3-fluoro-2-(hydroxyamino)benzoic acid
CID 82863522
2-(2,6-difluoroanilino)-5-methylbenzoic acid
CID 63537820

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid?
The IUPAC name of 2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid (CID 110453077) is 2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid.
What is the SMILES notation for 2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid?
The canonical SMILES for 2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid is CC(=O)c1ccc(Cl)c(Nc2c(F)cccc2C(=O)O)c1.
What is the InChIKey of 2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid?
The InChIKey is GOKMXMHGSBNKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO3/c1-8(19)9-5-6-11(16)13(7-9)18-14-10(15(20)21)3-2-4-12(14)17/h2-7,18H,1H3,(H,20,21).
What are the key properties of 2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid?
2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid has a molecular weight of 307.71 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid is sourced from PubChem (CID 110453077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).