3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide

C12H14F3NO2 — CID 104578530

IUPAC3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCNC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H14F3NO2/c1-7(2)18-4-3-16-12(17)8-5-9(13)11(15)10(14)6-8/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyYRLPUENIVIJPHY-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.26
Rot. Bonds5

About 3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide

3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide (PubChem CID 104578530) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide
PubChem CID104578530
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCNC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H14F3NO2/c1-7(2)18-4-3-16-12(17)8-5-9(13)11(15)10(14)6-8/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyYRLPUENIVIJPHY-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4,5-difluoro-2-(2-propan-2-yloxyethylcarbamoyl)benzoic acid
CID 104759074
4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 104600972
4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 118785542
4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104759817
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
N-(3-bromo-4-methoxybutyl)-3,4,5-trifluorobenzamide
CID 106244860
3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline
CID 62809594
2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide
CID 122569346
2-methyl-5-[(3,4,5-trifluorobenzoyl)amino]pentanoic acid
CID 104682373
3,4,5-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861735
2-amino-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 104765569
3,4,5-trifluoro-N-propan-2-ylbenzamide
CID 63187718

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide?
The IUPAC name of 3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide (CID 104578530) is 3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide is CC(C)OCCNC(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide?
The InChIKey is YRLPUENIVIJPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-7(2)18-4-3-16-12(17)8-5-9(13)11(15)10(14)6-8/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide?
3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide has a molecular weight of 261.24 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide is sourced from PubChem (CID 104578530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).