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

C14H8Cl2FNO3 — CID 63190261

IUPAC4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C14H8Cl2FNO3/c15-9-3-1-7(5-10(9)16)13(19)18-12-4-2-8(14(20)21)6-11(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyBLMQFUYJICCFKW-UHFFFAOYSA-N
MW328.13 g/mol
LogP4.08
Rot. Bonds3

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

4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid (PubChem CID 63190261) has the molecular formula C14H8Cl2FNO3 and a molecular weight of 328.13 g/mol. Its IUPAC name is 4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
PubChem CID63190261
Molecular FormulaC14H8Cl2FNO3
Molecular Weight328.13 g/mol
Exact Mass326.99
IUPAC Name4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C14H8Cl2FNO3/c15-9-3-1-7(5-10(9)16)13(19)18-12-4-2-8(14(20)21)6-11(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyBLMQFUYJICCFKW-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

4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid
CID 103871818
4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190036
4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
CID 63189025
4-[(3,4-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107728087
2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid
CID 28545385
3-fluoro-4-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921504
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
3-fluoro-4-(pyridazine-4-carbonylamino)benzoic acid
CID 112555172
4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 80644550
4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189775
3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid
CID 115867825
4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190056

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid (CID 63190261) is 4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid is O=C(O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(F)c1.
What is the InChIKey of 4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid?
The InChIKey is BLMQFUYJICCFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FNO3/c15-9-3-1-7(5-10(9)16)13(19)18-12-4-2-8(14(20)21)6-11(12)17/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid?
4-[(3,4-dichlorobenzoyl)amino]-3-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 4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 63190261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).