N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide

C16H15FN2O3 — CID 1121904

IUPACN-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C16H15FN2O3/c17-14-10-9-13(19(21)22)11-15(14)18-16(20)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,18,20)
InChIKeyHLPJSOUJQCIANM-UHFFFAOYSA-N
MW302.31 g/mol
LogP3.70
Rot. Bonds6

About N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide

N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide (PubChem CID 1121904) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide
PubChem CID1121904
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC NameN-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C16H15FN2O3/c17-14-10-9-13(19(21)22)11-15(14)18-16(20)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,18,20)
InChIKeyHLPJSOUJQCIANM-UHFFFAOYSA-N
XLogP3.70
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 53.70
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

N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
CID 3363812
N-(2-fluoro-5-nitrophenyl)butanamide
CID 909497
N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide
CID 4043303
N-(2-fluoro-5-nitrophenyl)-4-naphthalen-1-yloxybutanamide
CID 60528261
3-(3,5-dimethoxyphenyl)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 134044495
N-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 18190867
3-(2,6-dimethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 52696119
N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 18077302
N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide
CID 79954684
5-(2-hydroxy-5-nitroanilino)-5-oxopentanoic acid
CID 3546109
N-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467427
3-bromo-N-(2-fluoro-5-nitrophenyl)-4-(2-phenylethoxy)benzamide
CID 17072686

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide (CID 1121904) is N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide?
The InChIKey is HLPJSOUJQCIANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c17-14-10-9-13(19(21)22)11-15(14)18-16(20)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,18,20).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide?
N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide has a molecular weight of 302.31 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide is sourced from PubChem (CID 1121904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).