2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid

C14H8Cl2FNO3 — CID 28545385

IUPAC2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid
SMILESO=C(Nc1ccc(F)cc1C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2FNO3/c15-10-3-1-7(5-11(10)16)13(19)18-12-4-2-8(17)6-9(12)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyZIEPIYCSTCSCLM-UHFFFAOYSA-N
MW328.13 g/mol
LogP4.08
Rot. Bonds3

About 2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid

2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid (PubChem CID 28545385) has the molecular formula C14H8Cl2FNO3 and a molecular weight of 328.13 g/mol. Its IUPAC name is 2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid
PubChem CID28545385
Molecular FormulaC14H8Cl2FNO3
Molecular Weight328.13 g/mol
Exact Mass326.99
IUPAC Name2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid
SMILESO=C(Nc1ccc(F)cc1C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2FNO3/c15-10-3-1-7(5-11(10)16)13(19)18-12-4-2-8(17)6-9(12)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyZIEPIYCSTCSCLM-UHFFFAOYSA-N
XLogP4.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.13
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157769
N-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide
CID 82683921
4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid
CID 66468619
2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid
CID 81314313
5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 24690411
2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid
CID 107997720
4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
CID 10382905
2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16776960
5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431
2-(2-chloro-5-fluoroanilino)-5-fluorobenzoic acid
CID 175233849
5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107997828

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid?
The IUPAC name of 2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid (CID 28545385) is 2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid is O=C(Nc1ccc(F)cc1C(=O)O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid?
The InChIKey is ZIEPIYCSTCSCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FNO3/c15-10-3-1-7(5-11(10)16)13(19)18-12-4-2-8(17)6-9(12)14(20)21/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid?
2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid has a molecular weight of 328.13 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid is sourced from PubChem (CID 28545385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).