[4-[(2-chlorobenzoyl)amino]phenyl] 3,6-dichloropyridine-2-carboxylate

C19H11Cl3N2O3 — CID 26645827

IUPAC[4-[(2-chlorobenzoyl)amino]phenyl] 3,6-dichloropyridine-2-carboxylate
SMILESO=C(Nc1ccc(OC(=O)c2nc(Cl)ccc2Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C19H11Cl3N2O3/c20-14-4-2-1-3-13(14)18(25)23-11-5-7-12(8-6-11)27-19(26)17-15(21)9-10-16(22)24-17/h1-10H,(H,23,25)
InChIKeyFTRWVRMSRFGJBM-UHFFFAOYSA-N
MW421.67 g/mol
LogP5.51
Rot. Bonds4

About [4-[(2-chlorobenzoyl)amino]phenyl] 3,6-dichloropyridine-2-carboxylate

[4-[(2-chlorobenzoyl)amino]phenyl] 3,6-dichloropyridine-2-carboxylate (PubChem CID 26645827) has the molecular formula C19H11Cl3N2O3 and a molecular weight of 421.67 g/mol. Its IUPAC name is [4-[(2-chlorobenzoyl)amino]phenyl] 3,6-dichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[4-[(2-chlorobenzoyl)amino]phenyl] 3,6-dichloropyridine-2-carboxylate
PubChem CID26645827
Molecular FormulaC19H11Cl3N2O3
Molecular Weight421.67 g/mol
Exact Mass419.98
IUPAC Name[4-[(2-chlorobenzoyl)amino]phenyl] 3,6-dichloropyridine-2-carboxylate
SMILESO=C(Nc1ccc(OC(=O)c2nc(Cl)ccc2Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C19H11Cl3N2O3/c20-14-4-2-1-3-13(14)18(25)23-11-5-7-12(8-6-11)27-19(26)17-15(21)9-10-16(22)24-17/h1-10H,(H,23,25)
InChIKeyFTRWVRMSRFGJBM-UHFFFAOYSA-N
XLogP5.51
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.67
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chlorobenzoyl)amino]phenyl] 4-methylbenzoate
CID 8917316
3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
CID 26719883
[4-[(2-chlorobenzoyl)amino]phenyl] 3-phenoxypropanoate
CID 26682865
4-[(3,6-dichloropyridine-2-carbonyl)amino]benzoic acid
CID 45426688
2-chloro-N-(4-sulfanylphenyl)benzamide
CID 27137419
2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide
CID 78929855
[2-(4-chloroanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 2485209
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926
[4-[(2-methoxybenzoyl)amino]phenyl] 2-chloropyridine-4-carboxylate
CID 32694424
3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide
CID 26718791

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorobenzoyl)amino]phenyl] 3,6-dichloropyridine-2-carboxylate?
The IUPAC name of [4-[(2-chlorobenzoyl)amino]phenyl] 3,6-dichloropyridine-2-carboxylate (CID 26645827) is [4-[(2-chlorobenzoyl)amino]phenyl] 3,6-dichloropyridine-2-carboxylate.
What is the SMILES notation for [4-[(2-chlorobenzoyl)amino]phenyl] 3,6-dichloropyridine-2-carboxylate?
The canonical SMILES for [4-[(2-chlorobenzoyl)amino]phenyl] 3,6-dichloropyridine-2-carboxylate is O=C(Nc1ccc(OC(=O)c2nc(Cl)ccc2Cl)cc1)c1ccccc1Cl.
What is the InChIKey of [4-[(2-chlorobenzoyl)amino]phenyl] 3,6-dichloropyridine-2-carboxylate?
The InChIKey is FTRWVRMSRFGJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl3N2O3/c20-14-4-2-1-3-13(14)18(25)23-11-5-7-12(8-6-11)27-19(26)17-15(21)9-10-16(22)24-17/h1-10H,(H,23,25).
What are the key properties of [4-[(2-chlorobenzoyl)amino]phenyl] 3,6-dichloropyridine-2-carboxylate?
[4-[(2-chlorobenzoyl)amino]phenyl] 3,6-dichloropyridine-2-carboxylate has a molecular weight of 421.67 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorobenzoyl)amino]phenyl] 3,6-dichloropyridine-2-carboxylate is sourced from PubChem (CID 26645827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).