N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide

C20H12Cl2N2O4 — CID 1354566

IUPACN-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C20H12Cl2N2O4/c21-13-6-9-18(16(10-13)19(25)12-4-2-1-3-5-12)23-20(26)15-11-14(24(27)28)7-8-17(15)22/h1-11H,(H,23,26)
InChIKeyZYBTYXQXODBUQO-UHFFFAOYSA-N
MW415.23 g/mol
LogP5.38
Rot. Bonds5

About N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide

N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide (PubChem CID 1354566) has the molecular formula C20H12Cl2N2O4 and a molecular weight of 415.23 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide
PubChem CID1354566
Molecular FormulaC20H12Cl2N2O4
Molecular Weight415.23 g/mol
Exact Mass414.02
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C20H12Cl2N2O4/c21-13-6-9-18(16(10-13)19(25)12-4-2-1-3-5-12)23-20(26)15-11-14(24(27)28)7-8-17(15)22/h1-11H,(H,23,26)
InChIKeyZYBTYXQXODBUQO-UHFFFAOYSA-N
XLogP5.38
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.23
LogP ≤ 55.38
H-Bond Donors ≤ 51
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

N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide
CID 2295317
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
[5-chloro-2-(4-nitroanilino)phenyl]-phenylmethanone
CID 3826701
methyl 3-[(2-benzoyl-4-chlorophenyl)carbamoyl]-5-nitrobenzoate
CID 1279650
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
N-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide
CID 154108561
N-(2-benzoyl-4-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4652681
2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
CID 16776660
5-[3-carboxy-4-[(2-chloro-5-nitrobenzoyl)amino]phenyl]-2-[(2-chloro-5-nitrobenzoyl)amino]benzoic acid
CID 5121715
2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide
CID 21372734
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
CID 7770244

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide (CID 1354566) is N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide is O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide?
The InChIKey is ZYBTYXQXODBUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2O4/c21-13-6-9-18(16(10-13)19(25)12-4-2-1-3-5-12)23-20(26)15-11-14(24(27)28)7-8-17(15)22/h1-11H,(H,23,26).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide?
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide has a molecular weight of 415.23 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide is sourced from PubChem (CID 1354566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).