N-benzyl-3-fluoro-4-nitrobenzamide

C14H11FN2O3 — CID 62682905

IUPACN-benzyl-3-fluoro-4-nitrobenzamide
SMILESO=C(NCc1ccccc1)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H11FN2O3/c15-12-8-11(6-7-13(12)17(19)20)14(18)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18)
InChIKeyMWBKTNYPAMSFNK-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.66
Rot. Bonds4

About N-benzyl-3-fluoro-4-nitrobenzamide

N-benzyl-3-fluoro-4-nitrobenzamide (PubChem CID 62682905) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is N-benzyl-3-fluoro-4-nitrobenzamide.

Molecular Properties

Compound NameN-benzyl-3-fluoro-4-nitrobenzamide
PubChem CID62682905
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC NameN-benzyl-3-fluoro-4-nitrobenzamide
SMILESO=C(NCc1ccccc1)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H11FN2O3/c15-12-8-11(6-7-13(12)17(19)20)14(18)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18)
InChIKeyMWBKTNYPAMSFNK-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-[(3-bromophenyl)methyl]-3-fluoro-4-nitrobenzamide
CID 62681826
3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide
CID 62681809
N-benzyl-3,4-difluorobenzamide
CID 1294460
N-benzyl-3,4-dihydroxy-5-nitrobenzamide
CID 18990399
3-[(3-fluoro-4-nitrobenzoyl)amino]-2-hydroxypropanoic acid
CID 66167058
N-benzyl-3,5-dinitro(11C)benzamide
CID 71606848
N-benzyl-3,5-dinitrobenzamide
CID 4296325
4-bromo-N-[(4-fluorophenyl)methyl]-3-nitrobenzamide
CID 4885299
N-benzyl-3-nitro(11C)benzamide
CID 71606846
N-benzyl-4-[3-(benzylamino)-4-nitrophenyl]benzamide
CID 67181627
4-amino-3-fluoro-N-[(4-nitrophenyl)methyl]benzamide
CID 63188689
3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide
CID 55103599

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-fluoro-4-nitrobenzamide?
The IUPAC name of N-benzyl-3-fluoro-4-nitrobenzamide (CID 62682905) is N-benzyl-3-fluoro-4-nitrobenzamide.
What is the SMILES notation for N-benzyl-3-fluoro-4-nitrobenzamide?
The canonical SMILES for N-benzyl-3-fluoro-4-nitrobenzamide is O=C(NCc1ccccc1)c1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of N-benzyl-3-fluoro-4-nitrobenzamide?
The InChIKey is MWBKTNYPAMSFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-12-8-11(6-7-13(12)17(19)20)14(18)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18).
What are the key properties of N-benzyl-3-fluoro-4-nitrobenzamide?
N-benzyl-3-fluoro-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-benzyl-3-fluoro-4-nitrobenzamide is sourced from PubChem (CID 62682905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).