N-[(2-fluorophenyl)methyl]-2-nitrobenzamide

C14H11FN2O3 — CID 7924688

IUPACN-[(2-fluorophenyl)methyl]-2-nitrobenzamide
SMILESO=C(NCc1ccccc1F)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H11FN2O3/c15-12-7-3-1-5-10(12)9-16-14(18)11-6-2-4-8-13(11)17(19)20/h1-8H,9H2,(H,16,18)
InChIKeyMMRCGAQPXYYIML-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.66
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-2-nitrobenzamide

N-[(2-fluorophenyl)methyl]-2-nitrobenzamide (PubChem CID 7924688) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-nitrobenzamide
PubChem CID7924688
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC NameN-[(2-fluorophenyl)methyl]-2-nitrobenzamide
SMILESO=C(NCc1ccccc1F)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H11FN2O3/c15-12-7-3-1-5-10(12)9-16-14(18)11-6-2-4-8-13(11)17(19)20/h1-8H,9H2,(H,16,18)
InChIKeyMMRCGAQPXYYIML-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-[[2-(aminomethyl)phenyl]methyl]-2-nitrobenzamide
CID 62951005
2-nitro-N-[(2-phenoxyphenyl)methyl]benzamide
CID 60599991
2-chloro-N-[(2-fluorophenyl)methyl]-5-nitrobenzamide
CID 4794287
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-nitrobenzamide
CID 41439050
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide
CID 115735454
2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate
CID 7407568
4-amino-2-fluoro-N-[(2-nitrophenyl)methyl]benzamide
CID 107794442
2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide
CID 4827643
N-[(2-fluorophenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 28582574
N-[(4-bromophenyl)methyl]-2-nitrobenzamide
CID 60582772

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-nitrobenzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-nitrobenzamide (CID 7924688) is N-[(2-fluorophenyl)methyl]-2-nitrobenzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-nitrobenzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-nitrobenzamide is O=C(NCc1ccccc1F)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-nitrobenzamide?
The InChIKey is MMRCGAQPXYYIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-12-7-3-1-5-10(12)9-16-14(18)11-6-2-4-8-13(11)17(19)20/h1-8H,9H2,(H,16,18).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-nitrobenzamide?
N-[(2-fluorophenyl)methyl]-2-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-[(2-fluorophenyl)methyl]-2-nitrobenzamide is sourced from PubChem (CID 7924688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).