4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide

C15H15FN2O — CID 28970018

IUPAC4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2cccc(F)c2)ccc1N
InChIInChI=1S/C15H15FN2O/c1-10-7-12(5-6-14(10)17)15(19)18-9-11-3-2-4-13(16)8-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyXLRMNYLYHSUUJI-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.65
Rot. Bonds3

About 4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide

4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide (PubChem CID 28970018) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
PubChem CID28970018
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2cccc(F)c2)ccc1N
InChIInChI=1S/C15H15FN2O/c1-10-7-12(5-6-14(10)17)15(19)18-9-11-3-2-4-13(16)8-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyXLRMNYLYHSUUJI-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'}

Analyze 4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 113244666
4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide
CID 103830502
3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide
CID 61400942
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080
4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 82795367
N-[(3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103612084
N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997880
4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide
CID 62165092
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 28889361
N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 52570640
3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide
CID 61400953

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide?
The IUPAC name of 4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide (CID 28970018) is 4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide?
The canonical SMILES for 4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide is Cc1cc(C(=O)NCc2cccc(F)c2)ccc1N.
What is the InChIKey of 4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide?
The InChIKey is XLRMNYLYHSUUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-7-12(5-6-14(10)17)15(19)18-9-11-3-2-4-13(16)8-11/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide?
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide 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-[(3-fluorophenyl)methyl]-3-methylbenzamide is sourced from PubChem (CID 28970018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).