2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide

C20H11Cl4N3O4 — CID 2850372

IUPAC2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H11Cl4N3O4/c21-10-1-4-13(15(23)7-10)19(28)25-12-3-6-18(27(30)31)17(9-12)26-20(29)14-5-2-11(22)8-16(14)24/h1-9H,(H,25,28)(H,26,29)
InChIKeyIYFNAQXFOGZKPJ-UHFFFAOYSA-N
MW499.14 g/mol
LogP6.71
Rot. Bonds5

About 2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide

2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide (PubChem CID 2850372) has the molecular formula C20H11Cl4N3O4 and a molecular weight of 499.14 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide
PubChem CID2850372
Molecular FormulaC20H11Cl4N3O4
Molecular Weight499.14 g/mol
Exact Mass496.95
IUPAC Name2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H11Cl4N3O4/c21-10-1-4-13(15(23)7-10)19(28)25-12-3-6-18(27(30)31)17(9-12)26-20(29)14-5-2-11(22)8-16(14)24/h1-9H,(H,25,28)(H,26,29)
InChIKeyIYFNAQXFOGZKPJ-UHFFFAOYSA-N
XLogP6.71
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.14
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
CID 63110257
4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide
CID 38926215
2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
CID 103763477
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948
3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide
CID 79118519
5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863
2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide
CID 60955297
N-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide
CID 3286740
4-chloro-N-naphthalen-2-yl-2-nitrobenzamide
CID 896015
N-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide
CID 17424735
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide (CID 2850372) is 2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide is O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide?
The InChIKey is IYFNAQXFOGZKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl4N3O4/c21-10-1-4-13(15(23)7-10)19(28)25-12-3-6-18(27(30)31)17(9-12)26-20(29)14-5-2-11(22)8-16(14)24/h1-9H,(H,25,28)(H,26,29).
What are the key properties of 2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide?
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide has a molecular weight of 499.14 g/mol, XLogP of 6.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide is sourced from PubChem (CID 2850372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).