4-fluoro-3-nitro-N-(4-propylphenyl)benzamide

C16H15FN2O3 — CID 8732756

IUPAC4-fluoro-3-nitro-N-(4-propylphenyl)benzamide
SMILESCCCc1ccc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H15FN2O3/c1-2-3-11-4-7-13(8-5-11)18-16(20)12-6-9-14(17)15(10-12)19(21)22/h4-10H,2-3H2,1H3,(H,18,20)
InChIKeyXFWWCXILPFNULE-UHFFFAOYSA-N
MW302.31 g/mol
LogP3.94
Rot. Bonds5

About 4-fluoro-3-nitro-N-(4-propylphenyl)benzamide

4-fluoro-3-nitro-N-(4-propylphenyl)benzamide (PubChem CID 8732756) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is 4-fluoro-3-nitro-N-(4-propylphenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-nitro-N-(4-propylphenyl)benzamide
PubChem CID8732756
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name4-fluoro-3-nitro-N-(4-propylphenyl)benzamide
SMILESCCCc1ccc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H15FN2O3/c1-2-3-11-4-7-13(8-5-11)18-16(20)12-6-9-14(17)15(10-12)19(21)22/h4-10H,2-3H2,1H3,(H,18,20)
InChIKeyXFWWCXILPFNULE-UHFFFAOYSA-N
XLogP3.94
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 53.94
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-(4-butylphenyl)-4-chloro-3-nitrobenzamide
CID 3453151
4-ethyl-N-[4-(2-hydroxyethyl)phenyl]-3-nitrobenzamide
CID 111612092
3-nitro-N-(4-propylphenyl)benzamide
CID 8803025
4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 43708425
N-(4-butylphenyl)-4-methoxy-3-nitrobenzamide
CID 3346211
N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide
CID 43215672
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107022704
4-methyl-N-[4-[[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3443089
N-(3-bromo-5-methylphenyl)-4-fluoro-3-nitrobenzamide
CID 104938562
3-fluoro-N-(4-propylphenyl)benzamide
CID 26178121
N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide
CID 4065155

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-nitro-N-(4-propylphenyl)benzamide?
The IUPAC name of 4-fluoro-3-nitro-N-(4-propylphenyl)benzamide (CID 8732756) is 4-fluoro-3-nitro-N-(4-propylphenyl)benzamide.
What is the SMILES notation for 4-fluoro-3-nitro-N-(4-propylphenyl)benzamide?
The canonical SMILES for 4-fluoro-3-nitro-N-(4-propylphenyl)benzamide is CCCc1ccc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-fluoro-3-nitro-N-(4-propylphenyl)benzamide?
The InChIKey is XFWWCXILPFNULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-2-3-11-4-7-13(8-5-11)18-16(20)12-6-9-14(17)15(10-12)19(21)22/h4-10H,2-3H2,1H3,(H,18,20).
What are the key properties of 4-fluoro-3-nitro-N-(4-propylphenyl)benzamide?
4-fluoro-3-nitro-N-(4-propylphenyl)benzamide has a molecular weight of 302.31 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-nitro-N-(4-propylphenyl)benzamide is sourced from PubChem (CID 8732756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).