4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

C14H18F3NO3 — CID 103726179

IUPAC4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCC(C)OCc1ccc(C(=O)NCC(O)C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO3/c1-9(2)21-8-10-3-5-11(6-4-10)13(20)18-7-12(19)14(15,16)17/h3-6,9,12,19H,7-8H2,1-2H3,(H,18,20)
InChIKeyWMVGEMBULHUWFI-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.26
Rot. Bonds6

About 4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 103726179) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID103726179
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCC(C)OCc1ccc(C(=O)NCC(O)C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO3/c1-9(2)21-8-10-3-5-11(6-4-10)13(20)18-7-12(19)14(15,16)17/h3-6,9,12,19H,7-8H2,1-2H3,(H,18,20)
InChIKeyWMVGEMBULHUWFI-UHFFFAOYSA-N
XLogP2.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide
CID 115700661
4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120810855
4-propoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103726392
N-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide
CID 103877317
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid
CID 61263016
3,4-dihydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113358595
N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
CID 60645984
4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103957412
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 4-(propan-2-yloxymethyl)benzoate
CID 8985951
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55798141
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 30865071

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 103726179) is 4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is CC(C)OCc1ccc(C(=O)NCC(O)C(F)(F)F)cc1.
What is the InChIKey of 4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is WMVGEMBULHUWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-9(2)21-8-10-3-5-11(6-4-10)13(20)18-7-12(19)14(15,16)17/h3-6,9,12,19H,7-8H2,1-2H3,(H,18,20).
What are the key properties of 4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide has a molecular weight of 305.30 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 103726179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).