2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide

C15H15FN2O2 — CID 107677077

IUPAC2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1ccccc1NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C15H15FN2O2/c1-17-9-10-4-2-3-5-14(10)18-15(20)12-7-6-11(19)8-13(12)16/h2-8,17,19H,9H2,1H3,(H,18,20)
InChIKeyWJFBBHCYDGXHDS-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.50
Rot. Bonds4

About 2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide

2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide (PubChem CID 107677077) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide
PubChem CID107677077
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1ccccc1NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C15H15FN2O2/c1-17-9-10-4-2-3-5-14(10)18-15(20)12-7-6-11(19)8-13(12)16/h2-8,17,19H,9H2,1H3,(H,18,20)
InChIKeyWJFBBHCYDGXHDS-UHFFFAOYSA-N
XLogP2.50
TPSA61.36 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 ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-hydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102978268
2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 79755148
3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide
CID 64951287
2-fluoro-4-hydroxy-N-[4-(methylaminomethyl)phenyl]benzamide
CID 107675639
4-chloro-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
CID 114298237
N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 103941364
4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 63213814
N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide
CID 84589201
3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107675143
2-fluoro-4-methyl-N-(2-propylphenyl)benzamide
CID 79778827
2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid
CID 62537050
4-bromo-N-[2-(bromomethyl)phenyl]-2-fluorobenzamide
CID 114309734

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide (CID 107677077) is 2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide is CNCc1ccccc1NC(=O)c1ccc(O)cc1F.
What is the InChIKey of 2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide?
The InChIKey is WJFBBHCYDGXHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-17-9-10-4-2-3-5-14(10)18-15(20)12-7-6-11(19)8-13(12)16/h2-8,17,19H,9H2,1H3,(H,18,20).
What are the key properties of 2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide?
2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide has a molecular weight of 274.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 107677077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).