2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide

C16H16FNO2 — CID 81477970

IUPAC2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C(C)O)cc2)c1F
InChIInChI=1S/C16H16FNO2/c1-10-4-3-5-14(15(10)17)16(20)18-13-8-6-12(7-9-13)11(2)19/h3-9,11,19H,1-2H3,(H,18,20)
InChIKeyZAKWDASYCDJNCI-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.44
Rot. Bonds3

About 2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide

2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide (PubChem CID 81477970) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide
PubChem CID81477970
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C(C)O)cc2)c1F
InChIInChI=1S/C16H16FNO2/c1-10-4-3-5-14(15(10)17)16(20)18-13-8-6-12(7-9-13)11(2)19/h3-9,11,19H,1-2H3,(H,18,20)
InChIKeyZAKWDASYCDJNCI-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1-hydroxyethyl)phenyl]-2-methylbenzamide
CID 43417161
N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 81481600
2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 81477426
2-chloro-N-[4-(1-hydroxyethyl)phenyl]benzamide
CID 43508377
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
CID 62510659
N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
CID 43416665
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
2-fluoro-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 80718081
2-fluoro-3-methyl-N-propan-2-yloxybenzamide
CID 130778652
N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide
CID 93040828
N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81481979

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide?
The IUPAC name of 2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide (CID 81477970) is 2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(C(C)O)cc2)c1F.
What is the InChIKey of 2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide?
The InChIKey is ZAKWDASYCDJNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-10-4-3-5-14(15(10)17)16(20)18-13-8-6-12(7-9-13)11(2)19/h3-9,11,19H,1-2H3,(H,18,20).
What are the key properties of 2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide?
2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide has a molecular weight of 273.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 81477970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).