4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide

C14H19F2NO3 — CID 111447534

IUPAC4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide
SMILESCC(O)CC(C)CNC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H19F2NO3/c1-9(7-10(2)18)8-17-13(19)11-3-5-12(6-4-11)20-14(15)16/h3-6,9-10,14,18H,7-8H2,1-2H3,(H,17,19)
InChIKeyABHWGFWBRRJWMU-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.42
Rot. Bonds7

About 4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide

4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide (PubChem CID 111447534) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide
PubChem CID111447534
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide
SMILESCC(O)CC(C)CNC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H19F2NO3/c1-9(7-10(2)18)8-17-13(19)11-3-5-12(6-4-11)20-14(15)16/h3-6,9-10,14,18H,7-8H2,1-2H3,(H,17,19)
InChIKeyABHWGFWBRRJWMU-UHFFFAOYSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031888
4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 111447266
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103770980
4-(difluoromethoxy)-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 134027068
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111448110
N-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide
CID 111447086
(3R)-3-[[4-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 9454173
N-(4-hydroxy-2-methylpentyl)furan-3-carboxamide
CID 111447081
4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide
CID 14959961
1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111509009
(2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol
CID 106931834
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide (CID 111447534) is 4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide is CC(O)CC(C)CNC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide?
The InChIKey is ABHWGFWBRRJWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-9(7-10(2)18)8-17-13(19)11-3-5-12(6-4-11)20-14(15)16/h3-6,9-10,14,18H,7-8H2,1-2H3,(H,17,19).
What are the key properties of 4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide?
4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide has a molecular weight of 287.31 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide is sourced from PubChem (CID 111447534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).