3,5-difluoro-4-hydroxy-N-[1-(3-methoxyphenyl)cyclopropyl]benzamide

C17H15F2NO3 — CID 86792000

IUPAC3,5-difluoro-4-hydroxy-N-[1-(3-methoxyphenyl)cyclopropyl]benzamide
SMILESCOc1cccc(C2(NC(=O)c3cc(F)c(O)c(F)c3)CC2)c1
InChIInChI=1S/C17H15F2NO3/c1-23-12-4-2-3-11(9-12)17(5-6-17)20-16(22)10-7-13(18)15(21)14(19)8-10/h2-4,7-9,21H,5-6H2,1H3,(H,20,22)
InChIKeyIYEPESHSSGNJPQ-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.10
Rot. Bonds4

About 3,5-difluoro-4-hydroxy-N-[1-(3-methoxyphenyl)cyclopropyl]benzamide

3,5-difluoro-4-hydroxy-N-[1-(3-methoxyphenyl)cyclopropyl]benzamide (PubChem CID 86792000) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is 3,5-difluoro-4-hydroxy-N-[1-(3-methoxyphenyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-hydroxy-N-[1-(3-methoxyphenyl)cyclopropyl]benzamide
PubChem CID86792000
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Name3,5-difluoro-4-hydroxy-N-[1-(3-methoxyphenyl)cyclopropyl]benzamide
SMILESCOc1cccc(C2(NC(=O)c3cc(F)c(O)c(F)c3)CC2)c1
InChIInChI=1S/C17H15F2NO3/c1-23-12-4-2-3-11(9-12)17(5-6-17)20-16(22)10-7-13(18)15(21)14(19)8-10/h2-4,7-9,21H,5-6H2,1H3,(H,20,22)
InChIKeyIYEPESHSSGNJPQ-UHFFFAOYSA-N
XLogP3.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-(1-phenylcyclobutyl)benzamide
CID 51273020
3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid
CID 154870795
N-[1-(3-methoxyphenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 16668235
4-amino-N-[1-(3-methoxyphenyl)cyclopentyl]butanamide
CID 110460844
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113
1-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 67115968
2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide
CID 129032992
2-amino-N-[1-(3-chlorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110451706
2-hydroxy-4-methoxy-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
CID 139011396
3-(3-fluoro-1H-isoindol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide
CID 163627957
2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
CID 113091163

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-hydroxy-N-[1-(3-methoxyphenyl)cyclopropyl]benzamide?
The IUPAC name of 3,5-difluoro-4-hydroxy-N-[1-(3-methoxyphenyl)cyclopropyl]benzamide (CID 86792000) is 3,5-difluoro-4-hydroxy-N-[1-(3-methoxyphenyl)cyclopropyl]benzamide.
What is the SMILES notation for 3,5-difluoro-4-hydroxy-N-[1-(3-methoxyphenyl)cyclopropyl]benzamide?
The canonical SMILES for 3,5-difluoro-4-hydroxy-N-[1-(3-methoxyphenyl)cyclopropyl]benzamide is COc1cccc(C2(NC(=O)c3cc(F)c(O)c(F)c3)CC2)c1.
What is the InChIKey of 3,5-difluoro-4-hydroxy-N-[1-(3-methoxyphenyl)cyclopropyl]benzamide?
The InChIKey is IYEPESHSSGNJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO3/c1-23-12-4-2-3-11(9-12)17(5-6-17)20-16(22)10-7-13(18)15(21)14(19)8-10/h2-4,7-9,21H,5-6H2,1H3,(H,20,22).
What are the key properties of 3,5-difluoro-4-hydroxy-N-[1-(3-methoxyphenyl)cyclopropyl]benzamide?
3,5-difluoro-4-hydroxy-N-[1-(3-methoxyphenyl)cyclopropyl]benzamide has a molecular weight of 319.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-hydroxy-N-[1-(3-methoxyphenyl)cyclopropyl]benzamide is sourced from PubChem (CID 86792000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).