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

C16H16FNO2 — CID 103829572

IUPAC4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C16H16FNO2/c1-11-5-3-4-6-12(11)10-18(2)16(20)14-8-7-13(17)9-15(14)19/h3-9,19H,10H2,1-2H3
InChIKeyDSVRDJDWKJHHNN-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.11
Rot. Bonds3

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

4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 103829572) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
PubChem CID103829572
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C16H16FNO2/c1-11-5-3-4-6-12(11)10-18(2)16(20)14-8-7-13(17)9-15(14)19/h3-9,19H,10H2,1-2H3
InChIKeyDSVRDJDWKJHHNN-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-aminophenyl)methyl]-5-fluoro-N,2-dimethylbenzamide
CID 62057041
4-chloro-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 60628192
N,2,4-trimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028537
N-[(2-chlorophenyl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79532591
4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 103829573
2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid
CID 107013339
5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 79882419
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78768857
4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 63213046
N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829638
4-fluoro-2-hydroxy-N-methyl-N-prop-2-ynylbenzamide
CID 103527334

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide (CID 103829572) is 4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide is Cc1ccccc1CN(C)C(=O)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is DSVRDJDWKJHHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-5-3-4-6-12(11)10-18(2)16(20)14-8-7-13(17)9-15(14)19/h3-9,19H,10H2,1-2H3.
What are the key properties of 4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 273.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 103829572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).