3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide

C19H19F3N2O2 — CID 108543008

IUPAC3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C19H19F3N2O2/c1-12-3-4-15(11-13(12)2)18(26)24-10-9-23-17(25)14-5-7-16(8-6-14)19(20,21)22/h3-8,11H,9-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHCSXRSROIFCABA-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.48
Rot. Bonds5

About 3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide

3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide (PubChem CID 108543008) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
PubChem CID108543008
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C19H19F3N2O2/c1-12-3-4-15(11-13(12)2)18(26)24-10-9-23-17(25)14-5-7-16(8-6-14)19(20,21)22/h3-8,11H,9-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHCSXRSROIFCABA-UHFFFAOYSA-N
XLogP3.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55545672
2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide
CID 108542144
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 27237628
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 86921324
3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide
CID 108542747
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108574747
N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide
CID 108574738
3,4-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588560
(3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757027
N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 75402734

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide (CID 108543008) is 3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide is Cc1ccc(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide?
The InChIKey is HCSXRSROIFCABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-12-3-4-15(11-13(12)2)18(26)24-10-9-23-17(25)14-5-7-16(8-6-14)19(20,21)22/h3-8,11H,9-10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide?
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide has a molecular weight of 364.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 108543008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).