4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid

C14H9ClFNO3 — CID 63190036

IUPAC4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C14H9ClFNO3/c15-10-4-2-1-3-9(10)13(18)17-12-6-5-8(14(19)20)7-11(12)16/h1-7H,(H,17,18)(H,19,20)
InChIKeyDOSOYJJDLJOAIN-UHFFFAOYSA-N
MW293.68 g/mol
LogP3.43
Rot. Bonds3

About 4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid

4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid (PubChem CID 63190036) has the molecular formula C14H9ClFNO3 and a molecular weight of 293.68 g/mol. Its IUPAC name is 4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
PubChem CID63190036
Molecular FormulaC14H9ClFNO3
Molecular Weight293.68 g/mol
Exact Mass293.03
IUPAC Name4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C14H9ClFNO3/c15-10-4-2-1-3-9(10)13(18)17-12-6-5-8(14(19)20)7-11(12)16/h1-7H,(H,17,18)(H,19,20)
InChIKeyDOSOYJJDLJOAIN-UHFFFAOYSA-N
XLogP3.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63190129
4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190056
4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
4-(2-chloroanilino)-3-fluorobenzoic acid
CID 82304224
4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 80644550
4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189869
3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
CID 81453310
3-fluoro-4-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496426
4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107949226
3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285198
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid
CID 103871818

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid (CID 63190036) is 4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid is O=C(O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1.
What is the InChIKey of 4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid?
The InChIKey is DOSOYJJDLJOAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO3/c15-10-4-2-1-3-9(10)13(18)17-12-6-5-8(14(19)20)7-11(12)16/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid?
4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid has a molecular weight of 293.68 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 63190036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).