2-nitro-N-(2,4,5-trichlorophenyl)benzamide

C13H7Cl3N2O3 — CID 711434

IUPAC2-nitro-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H7Cl3N2O3/c14-8-5-10(16)11(6-9(8)15)17-13(19)7-3-1-2-4-12(7)18(20)21/h1-6H,(H,17,19)
InChIKeyIWLWJYOQIYGDKH-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.81
Rot. Bonds3

About 2-nitro-N-(2,4,5-trichlorophenyl)benzamide

2-nitro-N-(2,4,5-trichlorophenyl)benzamide (PubChem CID 711434) has the molecular formula C13H7Cl3N2O3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 2-nitro-N-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name2-nitro-N-(2,4,5-trichlorophenyl)benzamide
PubChem CID711434
Molecular FormulaC13H7Cl3N2O3
Molecular Weight345.57 g/mol
Exact Mass343.95
IUPAC Name2-nitro-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H7Cl3N2O3/c14-8-5-10(16)11(6-9(8)15)17-13(19)7-3-1-2-4-12(7)18(20)21/h1-6H,(H,17,19)
InChIKeyIWLWJYOQIYGDKH-UHFFFAOYSA-N
XLogP4.81
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
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2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
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N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide
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2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
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5-amino-N-(2-chlorophenyl)-2-nitrobenzamide
CID 62155739
N-[4-(4-tert-butylphenoxy)-2-chlorophenyl]-2-nitrobenzamide
CID 71322404
2-amino-N-(2-chlorophenyl)-3-nitrobenzamide
CID 115677618
N-(3-chloro-2-pyridinyl)-2-nitrobenzamide
CID 113347276
2-chloro-N-(2-chloro-4-methylphenyl)-3-nitrobenzamide
CID 115930887
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CID 4925398

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(2,4,5-trichlorophenyl)benzamide?
The IUPAC name of 2-nitro-N-(2,4,5-trichlorophenyl)benzamide (CID 711434) is 2-nitro-N-(2,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 2-nitro-N-(2,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 2-nitro-N-(2,4,5-trichlorophenyl)benzamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-(2,4,5-trichlorophenyl)benzamide?
The InChIKey is IWLWJYOQIYGDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2O3/c14-8-5-10(16)11(6-9(8)15)17-13(19)7-3-1-2-4-12(7)18(20)21/h1-6H,(H,17,19).
What are the key properties of 2-nitro-N-(2,4,5-trichlorophenyl)benzamide?
2-nitro-N-(2,4,5-trichlorophenyl)benzamide has a molecular weight of 345.57 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 711434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).