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

C13H6Cl5NO — CID 17133480

IUPAC3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H6Cl5NO/c14-7-1-6(2-8(15)3-7)13(20)19-12-5-10(17)9(16)4-11(12)18/h1-5H,(H,19,20)
InChIKeyMPBUHBHIONCGFB-UHFFFAOYSA-N
MW369.46 g/mol
LogP6.21
Rot. Bonds2

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

3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide (PubChem CID 17133480) has the molecular formula C13H6Cl5NO and a molecular weight of 369.46 g/mol. Its IUPAC name is 3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide
PubChem CID17133480
Molecular FormulaC13H6Cl5NO
Molecular Weight369.46 g/mol
Exact Mass366.89
IUPAC Name3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H6Cl5NO/c14-7-1-6(2-8(15)3-7)13(20)19-12-5-10(17)9(16)4-11(12)18/h1-5H,(H,19,20)
InChIKeyMPBUHBHIONCGFB-UHFFFAOYSA-N
XLogP6.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 56.21
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-chloro-N-(2,4,5-trichlorophenyl)benzamide
CID 854431
3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64788114
4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 28534866
N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
CID 4098506
5-nitro-1-N,3-N-bis(2,4,5-trichlorophenyl)benzene-1,3-dicarboxamide
CID 3379159
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934
3,5-ditert-butyl-4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 134094104
5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
CID 27687750
3-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 3408530
3,5-dichloro-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)benzamide
CID 71362833
3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
CID 107939178
2-chloro-6-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 63724110

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide?
The IUPAC name of 3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide (CID 17133480) is 3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide?
The InChIKey is MPBUHBHIONCGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl5NO/c14-7-1-6(2-8(15)3-7)13(20)19-12-5-10(17)9(16)4-11(12)18/h1-5H,(H,19,20).
What are the key properties of 3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide?
3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide has a molecular weight of 369.46 g/mol, XLogP of 6.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 17133480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).