4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide

C15H15FN2O — CID 115161009

IUPAC4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(N)cc2)ccc1F
InChIInChI=1S/C15H15FN2O/c1-10-8-11(2-7-14(10)16)9-18-15(19)12-3-5-13(17)6-4-12/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyMOZROFIXBFFIHX-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.65
Rot. Bonds3

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

4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide (PubChem CID 115161009) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
PubChem CID115161009
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(N)cc2)ccc1F
InChIInChI=1S/C15H15FN2O/c1-10-8-11(2-7-14(10)16)9-18-15(19)12-3-5-13(17)6-4-12/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyMOZROFIXBFFIHX-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63209632
N-[[4-(bromomethyl)phenyl]methyl]-4-fluoro-3-methylbenzamide
CID 107233716
4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 34486663
1-amino-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 115192598
N-[(4-aminophenyl)methyl]-3-bromo-4-methylbenzamide
CID 81470387
3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 43471397
4-[[[N-[(4-fluoro-3-methylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111853006
N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39697713
5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide
CID 102705403
4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 33305283
N-[2-[[N-[(4-fluoro-3-methylphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111853256
4-amino-N-[(2,3,4-trifluorophenyl)methyl]benzamide
CID 110483102

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide?
The IUPAC name of 4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide (CID 115161009) is 4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide is Cc1cc(CNC(=O)c2ccc(N)cc2)ccc1F.
What is the InChIKey of 4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide?
The InChIKey is MOZROFIXBFFIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-8-11(2-7-14(10)16)9-18-15(19)12-3-5-13(17)6-4-12/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide?
4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide has a molecular weight of 258.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 115161009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).