2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide

C17H18FNO2 — CID 75496576

IUPAC2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(CCO)c2ccccc2)c1F
InChIInChI=1S/C17H18FNO2/c1-12-6-5-9-14(16(12)18)17(21)19-15(10-11-20)13-7-3-2-4-8-13/h2-9,15,20H,10-11H2,1H3,(H,19,21)
InChIKeyOULZDUZXYWGYHE-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.99
Rot. Bonds5

About 2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide

2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide (PubChem CID 75496576) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide
PubChem CID75496576
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(CCO)c2ccccc2)c1F
InChIInChI=1S/C17H18FNO2/c1-12-6-5-9-14(16(12)18)17(21)19-15(10-11-20)13-7-3-2-4-8-13/h2-9,15,20H,10-11H2,1H3,(H,19,21)
InChIKeyOULZDUZXYWGYHE-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide
CID 103945018
N-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97117724
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-fluoro-3-methylbenzamide
CID 81481274
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
N-(4-bromobutan-2-yl)-2-fluoro-3-methylbenzamide
CID 83179699
3-bromo-N-(2-bromo-1-phenylethyl)-2-fluorobenzamide
CID 107956724
N-(2,3-dimethylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide
CID 111798272
N-[2-(dimethylamino)-1-phenylethyl]-2,3-dimethylbenzamide
CID 78819640
5-amino-2-fluoro-3-methyl-N-(1-phenylpropyl)benzamide
CID 103296385
[(1S)-3-hydroxy-1-phenylpropyl]carbamothioic S-acid
CID 142183585
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572
2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide
CID 107358466

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide?
The IUPAC name of 2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide (CID 75496576) is 2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide is Cc1cccc(C(=O)NC(CCO)c2ccccc2)c1F.
What is the InChIKey of 2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide?
The InChIKey is OULZDUZXYWGYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-6-5-9-14(16(12)18)17(21)19-15(10-11-20)13-7-3-2-4-8-13/h2-9,15,20H,10-11H2,1H3,(H,19,21).
What are the key properties of 2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide?
2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide has a molecular weight of 287.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide is sourced from PubChem (CID 75496576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).