2-(4-benzoyl-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide

C23H21N3O4 — CID 9184491

IUPAC2-(4-benzoyl-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C23H21N3O4/c1-15-7-6-8-16(2)22(15)25-21(27)14-24-19-12-11-18(13-20(19)26(29)30)23(28)17-9-4-3-5-10-17/h3-13,24H,14H2,1-2H3,(H,25,27)
InChIKeyMMUVQNFJQBYLKF-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.49
Rot. Bonds7

About 2-(4-benzoyl-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide

2-(4-benzoyl-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide (PubChem CID 9184491) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-(4-benzoyl-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoyl-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide
PubChem CID9184491
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name2-(4-benzoyl-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C23H21N3O4/c1-15-7-6-8-16(2)22(15)25-21(27)14-24-19-12-11-18(13-20(19)26(29)30)23(28)17-9-4-3-5-10-17/h3-13,24H,14H2,1-2H3,(H,25,27)
InChIKeyMMUVQNFJQBYLKF-UHFFFAOYSA-N
XLogP4.49
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(4-chloro-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide
CID 9195708
N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide
CID 9081630
2-(4-benzoyl-2-nitroanilino)ethene-1,1,2-tricarbonitrile
CID 168610452
[4-[(4-hydroxyphenyl)methylamino]-3-nitrophenyl]-phenylmethanone
CID 47020734
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2-nitroanilino)propanamide
CID 51328296
N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384916
[4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methylamino]-3-nitrophenyl]-phenylmethanone
CID 18208128
1-(4-methyl-3-nitrophenyl)-3-phenylpropane-1,3-dione
CID 43138906
bis[4-(2-hydroxyethylamino)-3-nitrophenyl]methanone
CID 151369958
2-(4-benzoyl-N-methyl-2-nitroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 26454015
N-[4-methyl-3-[[2-(4-methyl-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 55897358
(4-methyl-3,5-dinitrophenyl)-phenylmethanone
CID 15084102

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoyl-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-benzoyl-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide (CID 9184491) is 2-(4-benzoyl-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-benzoyl-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-benzoyl-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-benzoyl-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is MMUVQNFJQBYLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-15-7-6-8-16(2)22(15)25-21(27)14-24-19-12-11-18(13-20(19)26(29)30)23(28)17-9-4-3-5-10-17/h3-13,24H,14H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-benzoyl-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide?
2-(4-benzoyl-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 403.44 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoyl-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 9184491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).