3-methyl-N-propyl-5-(trifluoromethyl)benzamide

C12H14F3NO — CID 71119889

IUPAC3-methyl-N-propyl-5-(trifluoromethyl)benzamide
SMILESCCCNC(=O)c1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-3-4-16-11(17)9-5-8(2)6-10(7-9)12(13,14)15/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyQGHPUOIRRHMQNO-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.15
Rot. Bonds3

About 3-methyl-N-propyl-5-(trifluoromethyl)benzamide

3-methyl-N-propyl-5-(trifluoromethyl)benzamide (PubChem CID 71119889) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-methyl-N-propyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-propyl-5-(trifluoromethyl)benzamide
PubChem CID71119889
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name3-methyl-N-propyl-5-(trifluoromethyl)benzamide
SMILESCCCNC(=O)c1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-3-4-16-11(17)9-5-8(2)6-10(7-9)12(13,14)15/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyQGHPUOIRRHMQNO-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide
CID 91731345
3-piperidin-4-yl-N-propyl-5-(trifluoromethyl)benzamide
CID 165436228
N-butyl-3,5-dimethylbenzamide
CID 17190927
N-[3-[(6-chloro-3-pyridinyl)amino]propyl]-3-methyl-5-(trifluoromethyl)benzamide
CID 88988711
N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 134460179
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307
N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 119509675
N-(3-bromopropyl)-3,5-bis(trifluoromethyl)benzamide
CID 132941155
3-methyl-5-(trifluoromethyl)benzamide
CID 2775571
tert-butyl N-[2-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 52778261
3-iodo-N-[3-(methylamino)propyl]-5-(trifluoromethyl)benzamide
CID 119432359
3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 99606290

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-methyl-N-propyl-5-(trifluoromethyl)benzamide (CID 71119889) is 3-methyl-N-propyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-methyl-N-propyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-methyl-N-propyl-5-(trifluoromethyl)benzamide is CCCNC(=O)c1cc(C)cc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-N-propyl-5-(trifluoromethyl)benzamide?
The InChIKey is QGHPUOIRRHMQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-3-4-16-11(17)9-5-8(2)6-10(7-9)12(13,14)15/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-N-propyl-5-(trifluoromethyl)benzamide?
3-methyl-N-propyl-5-(trifluoromethyl)benzamide has a molecular weight of 245.24 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 71119889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).