3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid

C19H13ClN2O3 — CID 59673354

IUPAC3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2)c1
InChIInChI=1S/C19H13ClN2O3/c20-16-5-2-10-21-17(16)12-6-8-13(9-7-12)18(23)22-15-4-1-3-14(11-15)19(24)25/h1-11H,(H,22,23)(H,24,25)
InChIKeyXLKYMVYMUHJQLH-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.35
Rot. Bonds4

About 3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid

3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid (PubChem CID 59673354) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid
PubChem CID59673354
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2)c1
InChIInChI=1S/C19H13ClN2O3/c20-16-5-2-10-21-17(16)12-6-8-13(9-7-12)18(23)22-15-4-1-3-14(11-15)19(24)25/h1-11H,(H,22,23)(H,24,25)
InChIKeyXLKYMVYMUHJQLH-UHFFFAOYSA-N
XLogP4.35
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-2-pyridinyl)-N-(4-phenylphenyl)benzamide
CID 11234504
4-(3-chloro-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]benzamide
CID 86100465
4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 11245549
N-[4-(azepan-1-yl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide
CID 11153979
4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide
CID 59673528
4-(3-chloro-2-pyridinyl)-N-[4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]phenyl]benzamide
CID 59673533
4-(3-acetamido-2-pyridinyl)-N-(3-chlorophenyl)benzamide
CID 46386362
4-(3-chloro-2-pyridinyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 59673279
5-(3-chloro-2-pyridinyl)-N-(3-hydroxyphenyl)pyridine-2-carboxamide
CID 143032820
3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741844
4-(3-chloro-2-pyridinyl)-N-cyclopropylbenzamide
CID 59673165
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid?
The IUPAC name of 3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid (CID 59673354) is 3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid.
What is the SMILES notation for 3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid?
The canonical SMILES for 3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2)c1.
What is the InChIKey of 3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid?
The InChIKey is XLKYMVYMUHJQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-16-5-2-10-21-17(16)12-6-8-13(9-7-12)18(23)22-15-4-1-3-14(11-15)19(24)25/h1-11H,(H,22,23)(H,24,25).
What are the key properties of 3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid?
3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid has a molecular weight of 352.78 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid is sourced from PubChem (CID 59673354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).