4-(3,4-difluorophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide

C18H19F2NO3 — CID 111758314

IUPAC4-(3,4-difluorophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
SMILESCC(O)CCN(C)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H19F2NO3/c1-12(22)9-10-21(2)18(23)13-3-5-14(6-4-13)24-15-7-8-16(19)17(20)11-15/h3-8,11-12,22H,9-10H2,1-2H3
InChIKeyCEIOXELUWNIGTH-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.60
Rot. Bonds6

About 4-(3,4-difluorophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide

4-(3,4-difluorophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide (PubChem CID 111758314) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
PubChem CID111758314
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC Name4-(3,4-difluorophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
SMILESCC(O)CCN(C)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H19F2NO3/c1-12(22)9-10-21(2)18(23)13-3-5-14(6-4-13)24-15-7-8-16(19)17(20)11-15/h3-8,11-12,22H,9-10H2,1-2H3
InChIKeyCEIOXELUWNIGTH-UHFFFAOYSA-N
XLogP3.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
CID 115673441
4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 109388608
3-fluoro-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
CID 111695800
1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one
CID 114065895
3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
CID 115993845
4-bromo-N-(3-hydroxybutyl)-N-methyl-3-(trifluoromethyl)benzamide
CID 115735357
3-bromo-N-(3-hydroxybutyl)-4-methoxy-N-methylbenzamide
CID 113254689
4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide
CID 119442811
4-(3,4-difluorophenoxy)-N-ethyl-N-(1H-imidazol-2-yl)benzamide
CID 99630422
N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 115673368
4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide
CID 115673354
N-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide
CID 115673500

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide?
The IUPAC name of 4-(3,4-difluorophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide (CID 111758314) is 4-(3,4-difluorophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide?
The canonical SMILES for 4-(3,4-difluorophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide is CC(O)CCN(C)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-(3,4-difluorophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide?
The InChIKey is CEIOXELUWNIGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-12(22)9-10-21(2)18(23)13-3-5-14(6-4-13)24-15-7-8-16(19)17(20)11-15/h3-8,11-12,22H,9-10H2,1-2H3.
What are the key properties of 4-(3,4-difluorophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide?
4-(3,4-difluorophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide has a molecular weight of 335.35 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide is sourced from PubChem (CID 111758314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).