2-(4-benzoyl-2-nitroanilino)-2-(4-fluorophenyl)acetamide

C21H16FN3O4 — CID 133476248

IUPAC2-(4-benzoyl-2-nitroanilino)-2-(4-fluorophenyl)acetamide
SMILESNC(=O)C(Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccc(F)cc1
InChIInChI=1S/C21H16FN3O4/c22-16-9-6-13(7-10-16)19(21(23)27)24-17-11-8-15(12-18(17)25(28)29)20(26)14-4-2-1-3-5-14/h1-12,19,24H,(H2,23,27)
InChIKeyQVYDPOKJAPXUMW-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.60
Rot. Bonds7

About 2-(4-benzoyl-2-nitroanilino)-2-(4-fluorophenyl)acetamide

2-(4-benzoyl-2-nitroanilino)-2-(4-fluorophenyl)acetamide (PubChem CID 133476248) has the molecular formula C21H16FN3O4 and a molecular weight of 393.37 g/mol. Its IUPAC name is 2-(4-benzoyl-2-nitroanilino)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoyl-2-nitroanilino)-2-(4-fluorophenyl)acetamide
PubChem CID133476248
Molecular FormulaC21H16FN3O4
Molecular Weight393.37 g/mol
Exact Mass393.11
IUPAC Name2-(4-benzoyl-2-nitroanilino)-2-(4-fluorophenyl)acetamide
SMILESNC(=O)C(Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccc(F)cc1
InChIInChI=1S/C21H16FN3O4/c22-16-9-6-13(7-10-16)19(21(23)27)24-17-11-8-15(12-18(17)25(28)29)20(26)14-4-2-1-3-5-14/h1-12,19,24H,(H2,23,27)
InChIKeyQVYDPOKJAPXUMW-UHFFFAOYSA-N
XLogP3.60
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.60
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

4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-3-nitrobenzamide
CID 24508455
2-(2-chloro-4-nitroanilino)-2-(4-fluorophenyl)acetamide
CID 133476330
[3-nitro-4-[[phenyl(pyridin-2-yl)methyl]amino]phenyl]-phenylmethanone
CID 18229956
2-(2-fluoroanilino)-2-(4-fluorophenyl)acetamide
CID 60710855
[4-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-nitrophenyl]-phenylmethanone
CID 9026379
2-(2,6-difluoro-4-nitroanilino)-2-(4-fluorophenyl)acetamide
CID 122143004
N-benzhydryl-4-fluoro-2-nitroaniline
CID 146162956
N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4-fluoro-2-nitrobenzamide
CID 97309297
[4-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-nitrophenyl]-phenylmethanone
CID 24541699
methyl 5-[[2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]-2-nitrobenzoate
CID 133476214
[4-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitrophenyl]-phenylmethanone
CID 134032227
[4-[[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-3-nitrophenyl]-phenylmethanone
CID 41037889

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoyl-2-nitroanilino)-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-benzoyl-2-nitroanilino)-2-(4-fluorophenyl)acetamide (CID 133476248) is 2-(4-benzoyl-2-nitroanilino)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-benzoyl-2-nitroanilino)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-benzoyl-2-nitroanilino)-2-(4-fluorophenyl)acetamide is NC(=O)C(Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccc(F)cc1.
What is the InChIKey of 2-(4-benzoyl-2-nitroanilino)-2-(4-fluorophenyl)acetamide?
The InChIKey is QVYDPOKJAPXUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O4/c22-16-9-6-13(7-10-16)19(21(23)27)24-17-11-8-15(12-18(17)25(28)29)20(26)14-4-2-1-3-5-14/h1-12,19,24H,(H2,23,27).
What are the key properties of 2-(4-benzoyl-2-nitroanilino)-2-(4-fluorophenyl)acetamide?
2-(4-benzoyl-2-nitroanilino)-2-(4-fluorophenyl)acetamide has a molecular weight of 393.37 g/mol, XLogP of 3.60, 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)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 133476248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).