N-[(4-fluorophenyl)methyl]-4-nitrobenzamide

C14H11FN2O3 — CID 1101313

IUPACN-[(4-fluorophenyl)methyl]-4-nitrobenzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11FN2O3/c15-12-5-1-10(2-6-12)9-16-14(18)11-3-7-13(8-4-11)17(19)20/h1-8H,9H2,(H,16,18)
InChIKeyJNVXYLPECATQFV-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.66
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-nitrobenzamide

N-[(4-fluorophenyl)methyl]-4-nitrobenzamide (PubChem CID 1101313) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-nitrobenzamide
PubChem CID1101313
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC NameN-[(4-fluorophenyl)methyl]-4-nitrobenzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11FN2O3/c15-12-5-1-10(2-6-12)9-16-14(18)11-3-7-13(8-4-11)17(19)20/h1-8H,9H2,(H,16,18)
InChIKeyJNVXYLPECATQFV-UHFFFAOYSA-N
XLogP2.66
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.66
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-ethylphenyl)methyl]-4-nitrobenzamide
CID 71822483
4-amino-3-fluoro-N-[(4-nitrophenyl)methyl]benzamide
CID 63188689
N-[(4-fluorophenyl)methyl]-3-nitrobenzamide
CID 737682
4-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 2164802
N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide
CID 10314877
4-acetamido-N-[(4-nitrophenyl)methyl]benzamide
CID 60535872
(4-nitrophenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate
CID 7877988
4-bromo-N-[(4-fluorophenyl)methyl]-3-nitrobenzamide
CID 4885299
4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 32627467
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
3,5-dibromo-N-[(4-nitrophenyl)methyl]benzamide
CID 107980090

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-nitrobenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-nitrobenzamide (CID 1101313) is N-[(4-fluorophenyl)methyl]-4-nitrobenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-nitrobenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-nitrobenzamide is O=C(NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-nitrobenzamide?
The InChIKey is JNVXYLPECATQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-12-5-1-10(2-6-12)9-16-14(18)11-3-7-13(8-4-11)17(19)20/h1-8H,9H2,(H,16,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-nitrobenzamide?
N-[(4-fluorophenyl)methyl]-4-nitrobenzamide has a molecular weight of 274.25 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-nitrobenzamide is sourced from PubChem (CID 1101313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).