4-acetamido-3-nitro-N,N-diphenylbenzamide

C21H17N3O4 — CID 596922

IUPAC4-acetamido-3-nitro-N,N-diphenylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C21H17N3O4/c1-15(25)22-19-13-12-16(14-20(19)24(27)28)21(26)23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14H,1H3,(H,22,25)
InChIKeyRBDHNFVIUKNIJX-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.53
Rot. Bonds5

About 4-acetamido-3-nitro-N,N-diphenylbenzamide

4-acetamido-3-nitro-N,N-diphenylbenzamide (PubChem CID 596922) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 4-acetamido-3-nitro-N,N-diphenylbenzamide.

Molecular Properties

Compound Name4-acetamido-3-nitro-N,N-diphenylbenzamide
PubChem CID596922
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name4-acetamido-3-nitro-N,N-diphenylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C21H17N3O4/c1-15(25)22-19-13-12-16(14-20(19)24(27)28)21(26)23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14H,1H3,(H,22,25)
InChIKeyRBDHNFVIUKNIJX-UHFFFAOYSA-N
XLogP4.53
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.53
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

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CID 596994
ethyl 4-acetamido-3-nitrobenzoate
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[4-[acetyl(methyl)amino]-2-nitrophenyl]carbamic acid
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N-methyl-1-[4-(methylamino)-3-nitrophenyl]-1-oxo-N-phenylmethanesulfonamide
CID 86649316
3-methyl-4-nitro-N-phenylbenzohydrazide
CID 54532028
4-(3-methylbut-2-enoylamino)-3-nitrobenzoic acid
CID 60846117
4-(2,2-dimethylhydrazinyl)-3-nitrobenzoic acid
CID 83015837
2-[4-(dimethylcarbamoyl)-2-nitroanilino]acetic acid
CID 82989393
2-(4-benzoyl-2-nitroanilino)ethene-1,1,2-tricarbonitrile
CID 168610452
4-anilino-3-nitrobenzoic acid
CID 3824366
2-nitro-4-phenoxyaniline;N-(2-nitro-4-phenoxyphenyl)acetamide
CID 158109560

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-nitro-N,N-diphenylbenzamide?
The IUPAC name of 4-acetamido-3-nitro-N,N-diphenylbenzamide (CID 596922) is 4-acetamido-3-nitro-N,N-diphenylbenzamide.
What is the SMILES notation for 4-acetamido-3-nitro-N,N-diphenylbenzamide?
The canonical SMILES for 4-acetamido-3-nitro-N,N-diphenylbenzamide is CC(=O)Nc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-acetamido-3-nitro-N,N-diphenylbenzamide?
The InChIKey is RBDHNFVIUKNIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-15(25)22-19-13-12-16(14-20(19)24(27)28)21(26)23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14H,1H3,(H,22,25).
What are the key properties of 4-acetamido-3-nitro-N,N-diphenylbenzamide?
4-acetamido-3-nitro-N,N-diphenylbenzamide has a molecular weight of 375.38 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-nitro-N,N-diphenylbenzamide is sourced from PubChem (CID 596922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).