4-chloro-3-[[1-(2-chloro-6-fluorophenyl)-6-oxopyridine-3-carbonyl]amino]benzoic acid

C19H11Cl2FN2O4 — CID 67056853

IUPAC4-chloro-3-[[1-(2-chloro-6-fluorophenyl)-6-oxopyridine-3-carbonyl]amino]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)c2ccc(=O)n(-c3c(F)cccc3Cl)c2)c1
InChIInChI=1S/C19H11Cl2FN2O4/c20-12-6-4-10(19(27)28)8-15(12)23-18(26)11-5-7-16(25)24(9-11)17-13(21)2-1-3-14(17)22/h1-9H,(H,23,26)(H,27,28)
InChIKeyZQPLLPABALVBQN-UHFFFAOYSA-N
MW421.21 g/mol
LogP4.23
Rot. Bonds4

About 4-chloro-3-[[1-(2-chloro-6-fluorophenyl)-6-oxopyridine-3-carbonyl]amino]benzoic acid

4-chloro-3-[[1-(2-chloro-6-fluorophenyl)-6-oxopyridine-3-carbonyl]amino]benzoic acid (PubChem CID 67056853) has the molecular formula C19H11Cl2FN2O4 and a molecular weight of 421.21 g/mol. Its IUPAC name is 4-chloro-3-[[1-(2-chloro-6-fluorophenyl)-6-oxopyridine-3-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[[1-(2-chloro-6-fluorophenyl)-6-oxopyridine-3-carbonyl]amino]benzoic acid
PubChem CID67056853
Molecular FormulaC19H11Cl2FN2O4
Molecular Weight421.21 g/mol
Exact Mass420.01
IUPAC Name4-chloro-3-[[1-(2-chloro-6-fluorophenyl)-6-oxopyridine-3-carbonyl]amino]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)c2ccc(=O)n(-c3c(F)cccc3Cl)c2)c1
InChIInChI=1S/C19H11Cl2FN2O4/c20-12-6-4-10(19(27)28)8-15(12)23-18(26)11-5-7-16(25)24(9-11)17-13(21)2-1-3-14(17)22/h1-9H,(H,23,26)(H,27,28)
InChIKeyZQPLLPABALVBQN-UHFFFAOYSA-N
XLogP4.23
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.21
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-bromo-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide
CID 25116075
4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702365
4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674694
4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
CID 24688561
N-(2-chlorophenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26844026
1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide
CID 8671010
4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
CID 81453310
4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
CID 43452947
4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190036
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide
CID 1252929
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide
CID 59234662

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[1-(2-chloro-6-fluorophenyl)-6-oxopyridine-3-carbonyl]amino]benzoic acid?
The IUPAC name of 4-chloro-3-[[1-(2-chloro-6-fluorophenyl)-6-oxopyridine-3-carbonyl]amino]benzoic acid (CID 67056853) is 4-chloro-3-[[1-(2-chloro-6-fluorophenyl)-6-oxopyridine-3-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[[1-(2-chloro-6-fluorophenyl)-6-oxopyridine-3-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-chloro-3-[[1-(2-chloro-6-fluorophenyl)-6-oxopyridine-3-carbonyl]amino]benzoic acid is O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(=O)n(-c3c(F)cccc3Cl)c2)c1.
What is the InChIKey of 4-chloro-3-[[1-(2-chloro-6-fluorophenyl)-6-oxopyridine-3-carbonyl]amino]benzoic acid?
The InChIKey is ZQPLLPABALVBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2FN2O4/c20-12-6-4-10(19(27)28)8-15(12)23-18(26)11-5-7-16(25)24(9-11)17-13(21)2-1-3-14(17)22/h1-9H,(H,23,26)(H,27,28).
What are the key properties of 4-chloro-3-[[1-(2-chloro-6-fluorophenyl)-6-oxopyridine-3-carbonyl]amino]benzoic acid?
4-chloro-3-[[1-(2-chloro-6-fluorophenyl)-6-oxopyridine-3-carbonyl]amino]benzoic acid has a molecular weight of 421.21 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[1-(2-chloro-6-fluorophenyl)-6-oxopyridine-3-carbonyl]amino]benzoic acid is sourced from PubChem (CID 67056853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).