N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide

C17H18FNO2 — CID 103865191

IUPACN-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C17H18FNO2/c1-11-10-13(20)8-9-14(11)17(21)19(3)12(2)15-6-4-5-7-16(15)18/h4-10,12,20H,1-3H3
InChIKeyQFEUKPXZSCCCJR-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.67
Rot. Bonds3

About N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide

N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide (PubChem CID 103865191) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide
PubChem CID103865191
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C17H18FNO2/c1-11-10-13(20)8-9-14(11)17(21)19(3)12(2)15-6-4-5-7-16(15)18/h4-10,12,20H,1-3H3
InChIKeyQFEUKPXZSCCCJR-UHFFFAOYSA-N
XLogP3.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(2-fluorophenyl)ethyl]-5-hydroxy-N-methylbenzamide
CID 107074458
N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide
CID 107029072
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide
CID 81458555
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide
CID 107074457
3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107980294
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60938948
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 105386146
3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60939530
5-bromo-2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62000841
2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62979099
2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043567
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide (CID 103865191) is N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide is Cc1cc(O)ccc1C(=O)N(C)C(C)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide?
The InChIKey is QFEUKPXZSCCCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-11-10-13(20)8-9-14(11)17(21)19(3)12(2)15-6-4-5-7-16(15)18/h4-10,12,20H,1-3H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide?
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide has a molecular weight of 287.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide is sourced from PubChem (CID 103865191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).