3,4,5-trifluoro-N-propan-2-ylbenzamide

C10H10F3NO — CID 63187718

IUPAC3,4,5-trifluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H10F3NO/c1-5(2)14-10(15)6-3-7(11)9(13)8(12)4-6/h3-5H,1-2H3,(H,14,15)
InChIKeyKSCWAHOHYVMJGT-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.24
Rot. Bonds2

About 3,4,5-trifluoro-N-propan-2-ylbenzamide

3,4,5-trifluoro-N-propan-2-ylbenzamide (PubChem CID 63187718) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-propan-2-ylbenzamide
PubChem CID63187718
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name3,4,5-trifluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H10F3NO/c1-5(2)14-10(15)6-3-7(11)9(13)8(12)4-6/h3-5H,1-2H3,(H,14,15)
InChIKeyKSCWAHOHYVMJGT-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(3,4,5-trifluorobenzoyl)amino]propanoate
CID 63186715
N-(1-cyclohexylethyl)-3,4,5-trifluorobenzamide
CID 63189611
N-(1-chloro-3-methylbutan-2-yl)-3,4,5-trifluorobenzamide
CID 113273517
N-(4-bromopentan-2-yl)-3,4,5-trifluorobenzamide
CID 113376787
3,4,5-trifluoro-N-(1-phenylethyl)benzamide
CID 63188112
methane;3,4,5-trifluoro-N-methylbenzamide
CID 162072247
3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide
CID 115631311
N-(4-ethylsulfanylbutan-2-yl)-3,4,5-trifluorobenzamide
CID 113245328
N-(1-bromobutan-2-yl)-3,4,5-trifluorobenzamide
CID 114307677
N,3,5-tri(propan-2-yl)benzamide
CID 168742850
3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide
CID 115634311
4-ethenyl-3-fluoro-N-propan-2-ylbenzamide
CID 154814881

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-propan-2-ylbenzamide?
The IUPAC name of 3,4,5-trifluoro-N-propan-2-ylbenzamide (CID 63187718) is 3,4,5-trifluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-propan-2-ylbenzamide?
The canonical SMILES for 3,4,5-trifluoro-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-propan-2-ylbenzamide?
The InChIKey is KSCWAHOHYVMJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-5(2)14-10(15)6-3-7(11)9(13)8(12)4-6/h3-5H,1-2H3,(H,14,15).
What are the key properties of 3,4,5-trifluoro-N-propan-2-ylbenzamide?
3,4,5-trifluoro-N-propan-2-ylbenzamide has a molecular weight of 217.19 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 63187718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).