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

C14H10Cl3N3O2 — CID 30859138

IUPAC4-[(2,4,6-trichloroanilino)carbamoyl]benzamide
SMILESNC(=O)c1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H10Cl3N3O2/c15-9-5-10(16)12(11(17)6-9)19-20-14(22)8-3-1-7(2-4-8)13(18)21/h1-6,19H,(H2,18,21)(H,20,22)
InChIKeyLFLRMIVGLLCXTJ-UHFFFAOYSA-N
MW358.61 g/mol
LogP3.50
Rot. Bonds4

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

4-[(2,4,6-trichloroanilino)carbamoyl]benzamide (PubChem CID 30859138) has the molecular formula C14H10Cl3N3O2 and a molecular weight of 358.61 g/mol. Its IUPAC name is 4-[(2,4,6-trichloroanilino)carbamoyl]benzamide.

Molecular Properties

Compound Name4-[(2,4,6-trichloroanilino)carbamoyl]benzamide
PubChem CID30859138
Molecular FormulaC14H10Cl3N3O2
Molecular Weight358.61 g/mol
Exact Mass356.98
IUPAC Name4-[(2,4,6-trichloroanilino)carbamoyl]benzamide
SMILESNC(=O)c1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H10Cl3N3O2/c15-9-5-10(16)12(11(17)6-9)19-20-14(22)8-3-1-7(2-4-8)13(18)21/h1-6,19H,(H2,18,21)(H,20,22)
InChIKeyLFLRMIVGLLCXTJ-UHFFFAOYSA-N
XLogP3.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.61
LogP ≤ 53.50
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

4-(methoxymethyl)-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 30859143
2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 3981550
N'-(2,4,6-trichlorophenyl)pyridine-3-carbohydrazide
CID 47099649
3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 794857
1-methyl-2-oxo-N'-(2,4,6-trichlorophenyl)pyridine-4-carbohydrazide
CID 35556076
N-tert-butyl-2-chloro-5-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide
CID 30255802
6-(cyclopropylamino)-N'-(2,4,6-trichlorophenyl)pyridine-3-carbohydrazide
CID 60560763
2,2-dimethyl-N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]propanamide
CID 35185117
[2-oxo-2-[2-(2,4,6-trichlorophenyl)hydrazinyl]ethyl]urea
CID 18288669
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide
CID 139830477

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4,6-trichloroanilino)carbamoyl]benzamide?
The IUPAC name of 4-[(2,4,6-trichloroanilino)carbamoyl]benzamide (CID 30859138) is 4-[(2,4,6-trichloroanilino)carbamoyl]benzamide.
What is the SMILES notation for 4-[(2,4,6-trichloroanilino)carbamoyl]benzamide?
The canonical SMILES for 4-[(2,4,6-trichloroanilino)carbamoyl]benzamide is NC(=O)c1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[(2,4,6-trichloroanilino)carbamoyl]benzamide?
The InChIKey is LFLRMIVGLLCXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3O2/c15-9-5-10(16)12(11(17)6-9)19-20-14(22)8-3-1-7(2-4-8)13(18)21/h1-6,19H,(H2,18,21)(H,20,22).
What are the key properties of 4-[(2,4,6-trichloroanilino)carbamoyl]benzamide?
4-[(2,4,6-trichloroanilino)carbamoyl]benzamide has a molecular weight of 358.61 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4,6-trichloroanilino)carbamoyl]benzamide is sourced from PubChem (CID 30859138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).