[4-[(2-methoxybenzoyl)amino]phenyl] 2-chloropyridine-4-carboxylate

C20H15ClN2O4 — CID 32694424

IUPAC[4-[(2-methoxybenzoyl)amino]phenyl] 2-chloropyridine-4-carboxylate
SMILESCOc1ccccc1C(=O)Nc1ccc(OC(=O)c2ccnc(Cl)c2)cc1
InChIInChI=1S/C20H15ClN2O4/c1-26-17-5-3-2-4-16(17)19(24)23-14-6-8-15(9-7-14)27-20(25)13-10-11-22-18(21)12-13/h2-12H,1H3,(H,23,24)
InChIKeyZQHMDEQEMGPDND-UHFFFAOYSA-N
MW382.80 g/mol
LogP4.22
Rot. Bonds5

About [4-[(2-methoxybenzoyl)amino]phenyl] 2-chloropyridine-4-carboxylate

[4-[(2-methoxybenzoyl)amino]phenyl] 2-chloropyridine-4-carboxylate (PubChem CID 32694424) has the molecular formula C20H15ClN2O4 and a molecular weight of 382.80 g/mol. Its IUPAC name is [4-[(2-methoxybenzoyl)amino]phenyl] 2-chloropyridine-4-carboxylate.

Molecular Properties

Compound Name[4-[(2-methoxybenzoyl)amino]phenyl] 2-chloropyridine-4-carboxylate
PubChem CID32694424
Molecular FormulaC20H15ClN2O4
Molecular Weight382.80 g/mol
Exact Mass382.07
IUPAC Name[4-[(2-methoxybenzoyl)amino]phenyl] 2-chloropyridine-4-carboxylate
SMILESCOc1ccccc1C(=O)Nc1ccc(OC(=O)c2ccnc(Cl)c2)cc1
InChIInChI=1S/C20H15ClN2O4/c1-26-17-5-3-2-4-16(17)19(24)23-14-6-8-15(9-7-14)27-20(25)13-10-11-22-18(21)12-13/h2-12H,1H3,(H,23,24)
InChIKeyZQHMDEQEMGPDND-UHFFFAOYSA-N
XLogP4.22
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.80
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate
CID 26190244
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60693051
[4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate
CID 8917316
[4-[(2-methoxybenzoyl)amino]phenyl] 4-bromo-2-fluorobenzoate
CID 26703971
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
[4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate
CID 26699631
[4-[(2-methoxybenzoyl)amino]phenyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate
CID 26700219
N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 18227530
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate
CID 19181553
[2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate
CID 837711
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290
[4-[(2-methoxybenzoyl)amino]phenyl] 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 46635839

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxybenzoyl)amino]phenyl] 2-chloropyridine-4-carboxylate?
The IUPAC name of [4-[(2-methoxybenzoyl)amino]phenyl] 2-chloropyridine-4-carboxylate (CID 32694424) is [4-[(2-methoxybenzoyl)amino]phenyl] 2-chloropyridine-4-carboxylate.
What is the SMILES notation for [4-[(2-methoxybenzoyl)amino]phenyl] 2-chloropyridine-4-carboxylate?
The canonical SMILES for [4-[(2-methoxybenzoyl)amino]phenyl] 2-chloropyridine-4-carboxylate is COc1ccccc1C(=O)Nc1ccc(OC(=O)c2ccnc(Cl)c2)cc1.
What is the InChIKey of [4-[(2-methoxybenzoyl)amino]phenyl] 2-chloropyridine-4-carboxylate?
The InChIKey is ZQHMDEQEMGPDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4/c1-26-17-5-3-2-4-16(17)19(24)23-14-6-8-15(9-7-14)27-20(25)13-10-11-22-18(21)12-13/h2-12H,1H3,(H,23,24).
What are the key properties of [4-[(2-methoxybenzoyl)amino]phenyl] 2-chloropyridine-4-carboxylate?
[4-[(2-methoxybenzoyl)amino]phenyl] 2-chloropyridine-4-carboxylate has a molecular weight of 382.80 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxybenzoyl)amino]phenyl] 2-chloropyridine-4-carboxylate is sourced from PubChem (CID 32694424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).