2,6-dichloro-N-[(2,4,6-trichloroanilino)carbamoyl]benzamide

C14H8Cl5N3O2 — CID 2798573

IUPAC2,6-dichloro-N-[(2,4,6-trichloroanilino)carbamoyl]benzamide
SMILESO=C(NNc1c(Cl)cc(Cl)cc1Cl)NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H8Cl5N3O2/c15-6-4-9(18)12(10(19)5-6)21-22-14(24)20-13(23)11-7(16)2-1-3-8(11)17/h1-5,21H,(H2,20,22,23,24)
InChIKeyYWSWBJWKBARPCA-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.42
Rot. Bonds3

About 2,6-dichloro-N-[(2,4,6-trichloroanilino)carbamoyl]benzamide

2,6-dichloro-N-[(2,4,6-trichloroanilino)carbamoyl]benzamide (PubChem CID 2798573) has the molecular formula C14H8Cl5N3O2 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2,6-dichloro-N-[(2,4,6-trichloroanilino)carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(2,4,6-trichloroanilino)carbamoyl]benzamide
PubChem CID2798573
Molecular FormulaC14H8Cl5N3O2
Molecular Weight427.50 g/mol
Exact Mass424.91
IUPAC Name2,6-dichloro-N-[(2,4,6-trichloroanilino)carbamoyl]benzamide
SMILESO=C(NNc1c(Cl)cc(Cl)cc1Cl)NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H8Cl5N3O2/c15-6-4-9(18)12(10(19)5-6)21-22-14(24)20-13(23)11-7(16)2-1-3-8(11)17/h1-5,21H,(H2,20,22,23,24)
InChIKeyYWSWBJWKBARPCA-UHFFFAOYSA-N
XLogP5.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 3981550
3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 794857
4-[(2,4,6-trichloroanilino)carbamoyl]benzamide
CID 30859138
2,6-dichloro-N-[(5-chloro-2-pyridinyl)carbamoyl]benzamide
CID 23345083
N'-(2,4,6-trichlorophenyl)pyridine-3-carbohydrazide
CID 47099649
2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585
2-chloro-6-fluoro-N-[[(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide
CID 6409882
(2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate
CID 2798270
2,6-dichloro-N-[(4-hydroxy-2-naphthalen-1-ylphenyl)carbamoyl]benzamide
CID 57300424
2,6-dichloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 78774908
2-(4-hydroxyphenyl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 78838857
2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide
CID 2797979

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(2,4,6-trichloroanilino)carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(2,4,6-trichloroanilino)carbamoyl]benzamide (CID 2798573) is 2,6-dichloro-N-[(2,4,6-trichloroanilino)carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(2,4,6-trichloroanilino)carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(2,4,6-trichloroanilino)carbamoyl]benzamide is O=C(NNc1c(Cl)cc(Cl)cc1Cl)NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(2,4,6-trichloroanilino)carbamoyl]benzamide?
The InChIKey is YWSWBJWKBARPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl5N3O2/c15-6-4-9(18)12(10(19)5-6)21-22-14(24)20-13(23)11-7(16)2-1-3-8(11)17/h1-5,21H,(H2,20,22,23,24).
What are the key properties of 2,6-dichloro-N-[(2,4,6-trichloroanilino)carbamoyl]benzamide?
2,6-dichloro-N-[(2,4,6-trichloroanilino)carbamoyl]benzamide has a molecular weight of 427.50 g/mol, XLogP of 5.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(2,4,6-trichloroanilino)carbamoyl]benzamide is sourced from PubChem (CID 2798573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).