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

C15H15FN2O — CID 43471397

IUPAC3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(N)c2)cc1F
InChIInChI=1S/C15H15FN2O/c1-10-5-6-11(7-14(10)16)9-18-15(19)12-3-2-4-13(17)8-12/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyWRMDAHISRBPKLZ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.65
Rot. Bonds3

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

3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide (PubChem CID 43471397) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
PubChem CID43471397
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(N)c2)cc1F
InChIInChI=1S/C15H15FN2O/c1-10-5-6-11(7-14(10)16)9-18-15(19)12-3-2-4-13(17)8-12/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyWRMDAHISRBPKLZ-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

3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 25316330
4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 34486663
N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 34485319
3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 115160767
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186
4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 115161009
N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 34485959
N-[(3-aminophenyl)methyl]-4-fluorobenzamide
CID 55083550
N-[(4-aminophenyl)methyl]-3-methylbenzamide
CID 60891807
N-ethyl-3-[[[ethylamino-[(3-fluoro-4-methylphenyl)methylamino]methylidene]amino]methyl]benzamide
CID 111846689
3-amino-N-[(4-cyanophenyl)methyl]benzamide
CID 54937872
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide?
The IUPAC name of 3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide (CID 43471397) is 3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2cccc(N)c2)cc1F.
What is the InChIKey of 3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide?
The InChIKey is WRMDAHISRBPKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-5-6-11(7-14(10)16)9-18-15(19)12-3-2-4-13(17)8-12/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide?
3-amino-N-[(3-fluoro-4-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 3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 43471397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).