3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid

C14H8ClF2NO3 — CID 81453310

IUPAC3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)c(NC(=O)c2cccc(F)c2Cl)c1
InChIInChI=1S/C14H8ClF2NO3/c15-12-8(2-1-3-10(12)17)13(19)18-11-6-7(14(20)21)4-5-9(11)16/h1-6H,(H,18,19)(H,20,21)
InChIKeyHADKBTNLYQULBR-UHFFFAOYSA-N
MW311.67 g/mol
LogP3.57
Rot. Bonds3

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

3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid (PubChem CID 81453310) has the molecular formula C14H8ClF2NO3 and a molecular weight of 311.67 g/mol. Its IUPAC name is 3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
PubChem CID81453310
Molecular FormulaC14H8ClF2NO3
Molecular Weight311.67 g/mol
Exact Mass311.02
IUPAC Name3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)c(NC(=O)c2cccc(F)c2Cl)c1
InChIInChI=1S/C14H8ClF2NO3/c15-12-8(2-1-3-10(12)17)13(19)18-11-6-7(14(20)21)4-5-9(11)16/h1-6H,(H,18,19)(H,20,21)
InChIKeyHADKBTNLYQULBR-UHFFFAOYSA-N
XLogP3.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.67
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid
CID 60748401
3-[(2,3-dichlorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264731
4-fluoro-3-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496348
4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190036
3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 75472219
3-[(3-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 60748935
3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63190129
2-chloro-N-(2-chloro-3-sulfanylphenyl)-3-fluorobenzamide
CID 167048219
2-chloro-N-(2-cyanophenyl)-3-fluorobenzamide
CID 79044792
N-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide
CID 107789965
N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide
CID 81453774
N-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide
CID 81454782

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid?
The IUPAC name of 3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid (CID 81453310) is 3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid.
What is the SMILES notation for 3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid?
The canonical SMILES for 3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid is O=C(O)c1ccc(F)c(NC(=O)c2cccc(F)c2Cl)c1.
What is the InChIKey of 3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid?
The InChIKey is HADKBTNLYQULBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2NO3/c15-12-8(2-1-3-10(12)17)13(19)18-11-6-7(14(20)21)4-5-9(11)16/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid?
3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid has a molecular weight of 311.67 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid is sourced from PubChem (CID 81453310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).