4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid

C19H14N2O4 — CID 67343472

IUPAC4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid
SMILESO=C(Nc1cc(Oc2ccccc2)ccc1C(=O)O)c1cccnc1
InChIInChI=1S/C19H14N2O4/c22-18(13-5-4-10-20-12-13)21-17-11-15(8-9-16(17)19(23)24)25-14-6-2-1-3-7-14/h1-12H,(H,21,22)(H,23,24)
InChIKeyIAOUZILUJYMQEL-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.82
Rot. Bonds5

About 4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid

4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid (PubChem CID 67343472) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid
PubChem CID67343472
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid
SMILESO=C(Nc1cc(Oc2ccccc2)ccc1C(=O)O)c1cccnc1
InChIInChI=1S/C19H14N2O4/c22-18(13-5-4-10-20-12-13)21-17-11-15(8-9-16(17)19(23)24)25-14-6-2-1-3-7-14/h1-12H,(H,21,22)(H,23,24)
InChIKeyIAOUZILUJYMQEL-UHFFFAOYSA-N
XLogP3.82
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid
CID 67344063
2-benzamido-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 67342854
2-benzamido-4-(3-fluorophenoxy)benzoic acid
CID 67341850
2-[(2-hydroxybenzoyl)amino]-4-phenoxybenzoic acid
CID 67343612
2-[(4-acetyloxybenzoyl)amino]-4-phenoxybenzoic acid
CID 67342997
2-benzamido-4-(4-nitrophenoxy)benzoic acid
CID 67343170
2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid
CID 67342906
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55631172
(2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone
CID 175689937
N-[2-(4-methylphenoxy)phenyl]pyridine-3-carboxamide
CID 38504749
4-phenoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
CID 67343096

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid?
The IUPAC name of 4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid (CID 67343472) is 4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid.
What is the SMILES notation for 4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid?
The canonical SMILES for 4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid is O=C(Nc1cc(Oc2ccccc2)ccc1C(=O)O)c1cccnc1.
What is the InChIKey of 4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid?
The InChIKey is IAOUZILUJYMQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c22-18(13-5-4-10-20-12-13)21-17-11-15(8-9-16(17)19(23)24)25-14-6-2-1-3-7-14/h1-12H,(H,21,22)(H,23,24).
What are the key properties of 4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid?
4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid has a molecular weight of 334.33 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid is sourced from PubChem (CID 67343472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).