N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide

C16H16FNO3 — CID 60666342

IUPACN-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCCc2cccc(F)c2)c1
InChIInChI=1S/C16H16FNO3/c1-21-13-5-6-15(19)14(10-13)16(20)18-8-7-11-3-2-4-12(17)9-11/h2-6,9-10,19H,7-8H2,1H3,(H,18,20)
InChIKeyUGBQMYSTGGQFBR-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.51
Rot. Bonds5

About N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide

N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide (PubChem CID 60666342) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide
PubChem CID60666342
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCCc2cccc(F)c2)c1
InChIInChI=1S/C16H16FNO3/c1-21-13-5-6-15(19)14(10-13)16(20)18-8-7-11-3-2-4-12(17)9-11/h2-6,9-10,19H,7-8H2,1H3,(H,18,20)
InChIKeyUGBQMYSTGGQFBR-UHFFFAOYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761695
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 164627851
1-(3-fluorophenyl)-3-(2-hydroxy-5-methoxyphenyl)propane-1,3-dione
CID 873956
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
N-[(2-fluorophenyl)methyl]-2-hydroxy-5-methoxybenzamide
CID 60630315
2-hydroxy-5-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 60728918
2-fluoro-6-hydroxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 104916422
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
1-[(3-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898465
2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide
CID 114504277
2-hydroxy-5-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 112827443

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide (CID 60666342) is N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NCCc2cccc(F)c2)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide?
The InChIKey is UGBQMYSTGGQFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-21-13-5-6-15(19)14(10-13)16(20)18-8-7-11-3-2-4-12(17)9-11/h2-6,9-10,19H,7-8H2,1H3,(H,18,20).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide?
N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide has a molecular weight of 289.31 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 60666342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).