2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide

C16H16FNO2 — CID 103939983

IUPAC2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2ccc(O)cc2F)c1
InChIInChI=1S/C16H16FNO2/c1-10(2)11-4-3-5-12(8-11)18-16(20)14-7-6-13(19)9-15(14)17/h3-10,19H,1-2H3,(H,18,20)
InChIKeyJROHKANRCOXALZ-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.91
Rot. Bonds3

About 2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide

2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 103939983) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide
PubChem CID103939983
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2ccc(O)cc2F)c1
InChIInChI=1S/C16H16FNO2/c1-10(2)11-4-3-5-12(8-11)18-16(20)14-7-6-13(19)9-15(14)17/h3-10,19H,1-2H3,(H,18,20)
InChIKeyJROHKANRCOXALZ-UHFFFAOYSA-N
XLogP3.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide
CID 27162860
3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide
CID 62661688
3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674682
3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide
CID 43436989
2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide
CID 55376253
N-(4-chloro-3-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941277
N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide
CID 62650803
4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 9293301
2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide
CID 115412483
3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide
CID 105388132
N-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide
CID 107674599
propan-2-yl N-(3-propan-2-ylphenyl)carbamate
CID 15649383

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide (CID 103939983) is 2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide is CC(C)c1cccc(NC(=O)c2ccc(O)cc2F)c1.
What is the InChIKey of 2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is JROHKANRCOXALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-10(2)11-4-3-5-12(8-11)18-16(20)14-7-6-13(19)9-15(14)17/h3-10,19H,1-2H3,(H,18,20).
What are the key properties of 2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide?
2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 273.31 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 103939983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).