4-propoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

C13H16F3NO3 — CID 103726392

IUPAC4-propoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCCCOc1ccc(C(=O)NCC(O)C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO3/c1-2-7-20-10-5-3-9(4-6-10)12(19)17-8-11(18)13(14,15)16/h3-6,11,18H,2,7-8H2,1H3,(H,17,19)
InChIKeyNNICLTOIRHXLMV-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.13
Rot. Bonds6

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

4-propoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 103726392) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 4-propoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-propoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID103726392
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name4-propoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCCCOc1ccc(C(=O)NCC(O)C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO3/c1-2-7-20-10-5-3-9(4-6-10)12(19)17-8-11(18)13(14,15)16/h3-6,11,18H,2,7-8H2,1H3,(H,17,19)
InChIKeyNNICLTOIRHXLMV-UHFFFAOYSA-N
XLogP2.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1,1,1-trifluoropropan-2-ol;4-(2-dodecylsulfanylethoxy)benzoic acid;4-(2-dodecylsulfanylethoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 160958122
4-butoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786044
4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide
CID 98156453
4-heptoxy-N-(2-hydroxypropyl)benzamide
CID 3390549
N-butyl-4-propoxybenzamide
CID 17142951
N-(2-aminopropyl)-4-butoxybenzamide
CID 63732303
4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103726179
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-butoxybenzamide
CID 62668016
N-[4-iodo-2-(trifluoromethyl)phenyl]-4-propoxybenzamide
CID 3657897
methyl 4-(3,3,3-trifluoro-2-hydroxypropoxy)benzoate
CID 65019211
methyl 3-[(4-butoxybenzoyl)amino]-2-chloropropanoate
CID 103492843
4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103830624

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 4-propoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 103726392) is 4-propoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 4-propoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 4-propoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is CCCOc1ccc(C(=O)NCC(O)C(F)(F)F)cc1.
What is the InChIKey of 4-propoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is NNICLTOIRHXLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-2-7-20-10-5-3-9(4-6-10)12(19)17-8-11(18)13(14,15)16/h3-6,11,18H,2,7-8H2,1H3,(H,17,19).
What are the key properties of 4-propoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
4-propoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide has a molecular weight of 291.27 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 103726392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).