3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide

C18H18F3NO — CID 165142528

IUPAC3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C18H18F3NO/c1-3-5-13-8-9-14(10-12(13)2)17(23)22-16-7-4-6-15(11-16)18(19,20)21/h4,6-11H,3,5H2,1-2H3,(H,22,23)
InChIKeyIBWGUAGMQSSURM-UHFFFAOYSA-N
MW321.34 g/mol
LogP5.22
Rot. Bonds4

About 3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide

3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 165142528) has the molecular formula C18H18F3NO and a molecular weight of 321.34 g/mol. Its IUPAC name is 3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID165142528
Molecular FormulaC18H18F3NO
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C18H18F3NO/c1-3-5-13-8-9-14(10-12(13)2)17(23)22-16-7-4-6-15(11-16)18(19,20)21/h4,6-11H,3,5H2,1-2H3,(H,22,23)
InChIKeyIBWGUAGMQSSURM-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.34
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 103955327
N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-(trifluoromethyl)phenyl]-3-methyl-4-propylbenzamide
CID 165142642
2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 24823425
4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 68505609
1-N-butyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043779
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2319650
4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 17197649
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 165142528) is 3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide is CCCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C.
What is the InChIKey of 3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is IBWGUAGMQSSURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO/c1-3-5-13-8-9-14(10-12(13)2)17(23)22-16-7-4-6-15(11-16)18(19,20)21/h4,6-11H,3,5H2,1-2H3,(H,22,23).
What are the key properties of 3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide?
3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 321.34 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 165142528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).