N-(4-fluoro-3-nitrophenyl)-3-phenylpropanamide

C15H13FN2O3 — CID 3919312

IUPACN-(4-fluoro-3-nitrophenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13FN2O3/c16-13-8-7-12(10-14(13)18(20)21)17-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,17,19)
InChIKeyAGDQZJPULREBJW-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.31
Rot. Bonds5

About N-(4-fluoro-3-nitrophenyl)-3-phenylpropanamide

N-(4-fluoro-3-nitrophenyl)-3-phenylpropanamide (PubChem CID 3919312) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-3-phenylpropanamide
PubChem CID3919312
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC NameN-(4-fluoro-3-nitrophenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13FN2O3/c16-13-8-7-12(10-14(13)18(20)21)17-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,17,19)
InChIKeyAGDQZJPULREBJW-UHFFFAOYSA-N
XLogP3.31
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Benzamide, N-(3-nitrophenyl)-
CID 78503
4'-Nitrobenzanilide
CID 76930
N-(2-Methyl-5-nitrophenyl)benzamide
CID 269062
Benzeneacetamide, N-(3-nitrophenyl)-
CID 531991
4'-Nitro-p-toluanilide
CID 99257
4-tert-butyl-N-(3-nitrophenyl)benzamide
CID 772637
N-(3-nitrophenyl)adamantane-1-carboxamide
CID 532255
4'-Fluoro-3-nitrobenzanilide
CID 765293
4-Nitro-2-(2-phenylacetamido)benzamide
CID 44414909
N-(3-nitrophenyl)-3-phenylpropanamide
CID 245648
2-Nitro-N-Phenylbenzamide
CID 720051
3'-Nitro-2-benzoylacetanilide
CID 292351

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-3-phenylpropanamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-3-phenylpropanamide (CID 3919312) is N-(4-fluoro-3-nitrophenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-3-phenylpropanamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-3-phenylpropanamide?
The InChIKey is AGDQZJPULREBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-13-8-7-12(10-14(13)18(20)21)17-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,17,19).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-3-phenylpropanamide?
N-(4-fluoro-3-nitrophenyl)-3-phenylpropanamide has a molecular weight of 288.28 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-3-phenylpropanamide is sourced from PubChem (CID 3919312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).