N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide

C16H17FN2O — CID 43248673

IUPACN-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide
SMILESCN(Cc1cccc(CN)c1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O/c1-19(11-13-4-2-3-12(9-13)10-18)16(20)14-5-7-15(17)8-6-14/h2-9H,10-11,18H2,1H3
InChIKeyALEYWLWWNAYCDR-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.56
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide

N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide (PubChem CID 43248673) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide
PubChem CID43248673
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide
SMILESCN(Cc1cccc(CN)c1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O/c1-19(11-13-4-2-3-12(9-13)10-18)16(20)14-5-7-15(17)8-6-14/h2-9H,10-11,18H2,1H3
InChIKeyALEYWLWWNAYCDR-UHFFFAOYSA-N
XLogP2.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-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

N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 43248666
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949261
N-[(3-fluorophenyl)methyl]-N-methyl-1-oxidopyridin-1-ium-4-carboxamide
CID 78781868
N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 43248598
N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide
CID 60628786
N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide
CID 43248602
N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide
CID 103891567
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 26292158
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide (CID 43248673) is N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide is CN(Cc1cccc(CN)c1)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide?
The InChIKey is ALEYWLWWNAYCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-19(11-13-4-2-3-12(9-13)10-18)16(20)14-5-7-15(17)8-6-14/h2-9H,10-11,18H2,1H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide?
N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide has a molecular weight of 272.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 43248673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).