3-chloro-N-(2,4,5-trichlorophenyl)benzamide

C13H7Cl4NO — CID 854431

IUPAC3-chloro-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C13H7Cl4NO/c14-8-3-1-2-7(4-8)13(19)18-12-6-10(16)9(15)5-11(12)17/h1-6H,(H,18,19)
InChIKeyHBRYCKWBXZNPNM-UHFFFAOYSA-N
MW335.02 g/mol
LogP5.55
Rot. Bonds2

About 3-chloro-N-(2,4,5-trichlorophenyl)benzamide

3-chloro-N-(2,4,5-trichlorophenyl)benzamide (PubChem CID 854431) has the molecular formula C13H7Cl4NO and a molecular weight of 335.02 g/mol. Its IUPAC name is 3-chloro-N-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2,4,5-trichlorophenyl)benzamide
PubChem CID854431
Molecular FormulaC13H7Cl4NO
Molecular Weight335.02 g/mol
Exact Mass332.93
IUPAC Name3-chloro-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C13H7Cl4NO/c14-8-3-1-2-7(4-8)13(19)18-12-6-10(16)9(15)5-11(12)17/h1-6H,(H,18,19)
InChIKeyHBRYCKWBXZNPNM-UHFFFAOYSA-N
XLogP5.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.02
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 3408530
3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide
CID 17133480
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 790473
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934
4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 28534866
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-chlorobenzamide
CID 39184820
N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
CID 4098506
3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 82811022
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,4,5-trichlorophenyl)benzamide?
The IUPAC name of 3-chloro-N-(2,4,5-trichlorophenyl)benzamide (CID 854431) is 3-chloro-N-(2,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 3-chloro-N-(2,4,5-trichlorophenyl)benzamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2,4,5-trichlorophenyl)benzamide?
The InChIKey is HBRYCKWBXZNPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4NO/c14-8-3-1-2-7(4-8)13(19)18-12-6-10(16)9(15)5-11(12)17/h1-6H,(H,18,19).
What are the key properties of 3-chloro-N-(2,4,5-trichlorophenyl)benzamide?
3-chloro-N-(2,4,5-trichlorophenyl)benzamide has a molecular weight of 335.02 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 854431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).