4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide

C16H15FN2O2 — CID 34486663

IUPAC4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide
SMILESCc1ccc(CNC(=O)c2ccc(C(N)=O)cc2)cc1F
InChIInChI=1S/C16H15FN2O2/c1-10-2-3-11(8-14(10)17)9-19-16(21)13-6-4-12(5-7-13)15(18)20/h2-8H,9H2,1H3,(H2,18,20)(H,19,21)
InChIKeyZMDUVQYYFKSOEB-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.16
Rot. Bonds4

About 4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide

4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide (PubChem CID 34486663) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide
PubChem CID34486663
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide
SMILESCc1ccc(CNC(=O)c2ccc(C(N)=O)cc2)cc1F
InChIInChI=1S/C16H15FN2O2/c1-10-2-3-11(8-14(10)17)9-19-16(21)13-6-4-12(5-7-13)15(18)20/h2-8H,9H2,1H3,(H2,18,20)(H,19,21)
InChIKeyZMDUVQYYFKSOEB-UHFFFAOYSA-N
XLogP2.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 43471397
N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide
CID 34485315
4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 115161009
N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 34485959
3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 25316330
N-ethyl-4-[[[N-[(3-fluoro-4-methylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111844531
4-[[[N-ethyl-N'-[(3-fluoro-4-methylphenyl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 111844451
5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide
CID 25316377
N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 25317177
N-[(3-fluoro-4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 31714300
4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 24553274
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 34485300

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide (CID 34486663) is 4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide is Cc1ccc(CNC(=O)c2ccc(C(N)=O)cc2)cc1F.
What is the InChIKey of 4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The InChIKey is ZMDUVQYYFKSOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-10-2-3-11(8-14(10)17)9-19-16(21)13-6-4-12(5-7-13)15(18)20/h2-8H,9H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of 4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide?
4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide has a molecular weight of 286.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 34486663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).