2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide

C16H16FNO2 — CID 104928615

IUPAC2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CN(C)C(=O)c2ccc(O)cc2F)c1
InChIInChI=1S/C16H16FNO2/c1-11-4-3-5-12(8-11)10-18(2)16(20)14-7-6-13(19)9-15(14)17/h3-9,19H,10H2,1-2H3
InChIKeyQHIYYBDQTOPUBN-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.11
Rot. Bonds3

About 2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide

2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 104928615) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
PubChem CID104928615
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CN(C)C(=O)c2ccc(O)cc2F)c1
InChIInChI=1S/C16H16FNO2/c1-11-4-3-5-12(8-11)10-18(2)16(20)14-7-6-13(19)9-15(14)17/h3-9,19H,10H2,1-2H3
InChIKeyQHIYYBDQTOPUBN-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

2-fluoro-N-[(3-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 79770083
N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79770462
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
2-fluoro-4-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 107676711
N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 78771235
4-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 62682971
3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 103706723
2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 105385956
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide
CID 103863635
2-amino-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 115412767
N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 43248666

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide (CID 104928615) is 2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CN(C)C(=O)c2ccc(O)cc2F)c1.
What is the InChIKey of 2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is QHIYYBDQTOPUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-4-3-5-12(8-11)10-18(2)16(20)14-7-6-13(19)9-15(14)17/h3-9,19H,10H2,1-2H3.
What are the key properties of 2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide?
2-fluoro-4-hydroxy-N-methyl-N-[(3-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 2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 104928615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).