3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide

C15H13FN2O3 — CID 62681809

IUPAC3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide
SMILESCc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(F)c2)c1
InChIInChI=1S/C15H13FN2O3/c1-10-3-2-4-11(7-10)9-17-15(19)12-5-6-14(18(20)21)13(16)8-12/h2-8H,9H2,1H3,(H,17,19)
InChIKeyZUYMBTMJXFBLNT-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.97
Rot. Bonds4

About 3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide

3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide (PubChem CID 62681809) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide.

Molecular Properties

Compound Name3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide
PubChem CID62681809
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide
SMILESCc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(F)c2)c1
InChIInChI=1S/C15H13FN2O3/c1-10-3-2-4-11(7-10)9-17-15(19)12-5-6-14(18(20)21)13(16)8-12/h2-8H,9H2,1H3,(H,17,19)
InChIKeyZUYMBTMJXFBLNT-UHFFFAOYSA-N
XLogP2.97
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.97
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
N-benzyl-3-fluoro-4-nitrobenzamide
CID 62682905
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992174
3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide
CID 55103599
ethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate
CID 62680737
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
N-[(3-methylphenyl)methyl]-5-nitrofuran-2-carboxamide
CID 34164755
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitrobenzamide
CID 63302478
2-N-hydroxy-6-N-[(3-methylphenyl)methyl]naphthalene-2,6-dicarboxamide
CID 25256330

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide?
The IUPAC name of 3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide (CID 62681809) is 3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide.
What is the SMILES notation for 3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide?
The canonical SMILES for 3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide is Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(F)c2)c1.
What is the InChIKey of 3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide?
The InChIKey is ZUYMBTMJXFBLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-10-3-2-4-11(7-10)9-17-15(19)12-5-6-14(18(20)21)13(16)8-12/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide?
3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide has a molecular weight of 288.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide is sourced from PubChem (CID 62681809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).