N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide

C15H15FN2O — CID 54936495

IUPACN-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
SMILESNCc1ccc(CNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C15H15FN2O/c16-14-3-1-2-13(8-14)15(19)18-10-12-6-4-11(9-17)5-7-12/h1-8H,9-10,17H2,(H,18,19)
InChIKeyRGZHUECHYRLOEI-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.21
Rot. Bonds4

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

N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide (PubChem CID 54936495) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
PubChem CID54936495
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
SMILESNCc1ccc(CNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C15H15FN2O/c16-14-3-1-2-13(8-14)15(19)18-10-12-6-4-11(9-17)5-7-12/h1-8H,9-10,17H2,(H,18,19)
InChIKeyRGZHUECHYRLOEI-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 23768618
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 134039269
3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide
CID 4919610
3-fluoro-N-[[4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]benzamide
CID 123879577
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
[3-[(4-fluorophenyl)methylcarbamoyl]phenyl]boronic acid
CID 135741408
N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide
CID 82880028
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63793552
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
3-fluoro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride
CID 20787057

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide (CID 54936495) is N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide is NCc1ccc(CNC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide?
The InChIKey is RGZHUECHYRLOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-14-3-1-2-13(8-14)15(19)18-10-12-6-4-11(9-17)5-7-12/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide?
N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide has a molecular weight of 258.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 54936495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).