2-fluoro-4-nitro-N-(4-oxo-4-phenylbutan-2-yl)benzamide

C17H15FN2O4 — CID 71919941

IUPAC2-fluoro-4-nitro-N-(4-oxo-4-phenylbutan-2-yl)benzamide
SMILESCC(CC(=O)c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C17H15FN2O4/c1-11(9-16(21)12-5-3-2-4-6-12)19-17(22)14-8-7-13(20(23)24)10-15(14)18/h2-8,10-11H,9H2,1H3,(H,19,22)
InChIKeyPPLVRXLLUZWVKA-UHFFFAOYSA-N
MW330.31 g/mol
LogP3.13
Rot. Bonds6

About 2-fluoro-4-nitro-N-(4-oxo-4-phenylbutan-2-yl)benzamide

2-fluoro-4-nitro-N-(4-oxo-4-phenylbutan-2-yl)benzamide (PubChem CID 71919941) has the molecular formula C17H15FN2O4 and a molecular weight of 330.31 g/mol. Its IUPAC name is 2-fluoro-4-nitro-N-(4-oxo-4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-nitro-N-(4-oxo-4-phenylbutan-2-yl)benzamide
PubChem CID71919941
Molecular FormulaC17H15FN2O4
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name2-fluoro-4-nitro-N-(4-oxo-4-phenylbutan-2-yl)benzamide
SMILESCC(CC(=O)c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C17H15FN2O4/c1-11(9-16(21)12-5-3-2-4-6-12)19-17(22)14-8-7-13(20(23)24)10-15(14)18/h2-8,10-11H,9H2,1H3,(H,19,22)
InChIKeyPPLVRXLLUZWVKA-UHFFFAOYSA-N
XLogP3.13
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 53.13
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'}

Analyze 2-fluoro-4-nitro-N-(4-oxo-4-phenylbutan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-fluoro-5-nitrobenzoyl)amino]butanoic acid
CID 43808757
N-(5-bromopentan-2-yl)-2-fluoro-4-nitrobenzamide
CID 114316520
N-(1-amino-3-methylbutan-2-yl)-2-fluoro-4-nitrobenzamide
CID 65191293
N-(1-bromo-3-methylbutan-2-yl)-2-fluoro-4-nitrobenzamide
CID 114316186
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
3-[(2-fluoro-4-nitrobenzoyl)amino]-2-hydroxypropanoic acid
CID 66167285
2-[[(2-fluoro-4-nitrobenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65215598
3-(2-fluoro-4-nitrophenyl)-3-oxopropanoic acid
CID 67768369
2-fluoro-N-(4-hydroxypentan-2-yl)-5-nitrobenzamide
CID 113376183
5-[(2-fluoro-5-nitrobenzoyl)amino]hexanoic acid
CID 82845763
2-fluoro-N-(3-hydroxy-3-phenylpropyl)-4-nitrobenzamide
CID 111472014
N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-4-nitrobenzamide
CID 106183058

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-nitro-N-(4-oxo-4-phenylbutan-2-yl)benzamide?
The IUPAC name of 2-fluoro-4-nitro-N-(4-oxo-4-phenylbutan-2-yl)benzamide (CID 71919941) is 2-fluoro-4-nitro-N-(4-oxo-4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-nitro-N-(4-oxo-4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 2-fluoro-4-nitro-N-(4-oxo-4-phenylbutan-2-yl)benzamide is CC(CC(=O)c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-fluoro-4-nitro-N-(4-oxo-4-phenylbutan-2-yl)benzamide?
The InChIKey is PPLVRXLLUZWVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-11(9-16(21)12-5-3-2-4-6-12)19-17(22)14-8-7-13(20(23)24)10-15(14)18/h2-8,10-11H,9H2,1H3,(H,19,22).
What are the key properties of 2-fluoro-4-nitro-N-(4-oxo-4-phenylbutan-2-yl)benzamide?
2-fluoro-4-nitro-N-(4-oxo-4-phenylbutan-2-yl)benzamide has a molecular weight of 330.31 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-nitro-N-(4-oxo-4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 71919941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).