N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide

C15H15FN2O2 — CID 107674361

IUPACN-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide
SMILESNCc1ccc(CNC(=O)c2ccc(O)cc2F)cc1
InChIInChI=1S/C15H15FN2O2/c16-14-7-12(19)5-6-13(14)15(20)18-9-11-3-1-10(8-17)2-4-11/h1-7,19H,8-9,17H2,(H,18,20)
InChIKeyHJPWDPNVHFCTJM-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.92
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide

N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide (PubChem CID 107674361) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide
PubChem CID107674361
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide
SMILESNCc1ccc(CNC(=O)c2ccc(O)cc2F)cc1
InChIInChI=1S/C15H15FN2O2/c16-14-7-12(19)5-6-13(14)15(20)18-9-11-3-1-10(8-17)2-4-11/h1-7,19H,8-9,17H2,(H,18,20)
InChIKeyHJPWDPNVHFCTJM-UHFFFAOYSA-N
XLogP1.92
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-hydroxy-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107675567
N-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-methylbenzamide
CID 107670516
4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577900
N-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677678
2,4-difluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292194
4-(aminomethyl)-N-ethyl-2-fluorobenzamide
CID 90167372
2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide
CID 79795606
N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
CID 54936495
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 81090221
N-[2-(4-chlorophenyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939851
N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 103941364
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide (CID 107674361) is N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide is NCc1ccc(CNC(=O)c2ccc(O)cc2F)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide?
The InChIKey is HJPWDPNVHFCTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-14-7-12(19)5-6-13(14)15(20)18-9-11-3-1-10(8-17)2-4-11/h1-7,19H,8-9,17H2,(H,18,20).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide?
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide has a molecular weight of 274.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107674361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).