2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)benzamide

C21H18FNO2 — CID 835182

IUPAC2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(Cc2ccccc2O)C(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H18FNO2/c1-15-10-12-17(13-11-15)23(14-16-6-2-5-9-20(16)24)21(25)18-7-3-4-8-19(18)22/h2-13,24H,14H2,1H3
InChIKeyABWZCROWUAHPLA-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.69
Rot. Bonds4

About 2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)benzamide

2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)benzamide (PubChem CID 835182) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)benzamide
PubChem CID835182
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC Name2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(Cc2ccccc2O)C(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H18FNO2/c1-15-10-12-17(13-11-15)23(14-16-6-2-5-9-20(16)24)21(25)18-7-3-4-8-19(18)22/h2-13,24H,14H2,1H3
InChIKeyABWZCROWUAHPLA-UHFFFAOYSA-N
XLogP4.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide
CID 86145134
2-fluoro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1397221
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-fluoro-N-(4-methylphenyl)benzamide
CID 50749183
2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid
CID 60831615
N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 28769276
2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1421798
N-(4-ethylphenyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 35180799
N-(cyanomethyl)-2-fluoro-N-phenylbenzamide
CID 82131953
2-fluoro-N-phenyl-N-prop-2-enylbenzamide
CID 78795026
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylbenzoyl)benzamide
CID 36816287
(2-fluorophenyl)methyl-phenylcarbamic acid
CID 68974867
N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide
CID 22830347

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)benzamide?
The IUPAC name of 2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)benzamide (CID 835182) is 2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)benzamide is Cc1ccc(N(Cc2ccccc2O)C(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)benzamide?
The InChIKey is ABWZCROWUAHPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2/c1-15-10-12-17(13-11-15)23(14-16-6-2-5-9-20(16)24)21(25)18-7-3-4-8-19(18)22/h2-13,24H,14H2,1H3.
What are the key properties of 2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)benzamide?
2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)benzamide has a molecular weight of 335.38 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 835182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).