N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-(trifluoromethyl)phenyl]-3-methyl-4-propylbenzamide

C23H28F3N3O2 — CID 165142642

IUPACN-[3-[2-(dimethylamino)ethylcarbamoyl]-5-(trifluoromethyl)phenyl]-3-methyl-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2cc(C(=O)NCCN(C)C)cc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C23H28F3N3O2/c1-5-6-16-7-8-17(11-15(16)2)22(31)28-20-13-18(12-19(14-20)23(24,25)26)21(30)27-9-10-29(3)4/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,27,30)(H,28,31)
InChIKeySJEWAVRMCUFYRI-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.51
Rot. Bonds8

About N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-(trifluoromethyl)phenyl]-3-methyl-4-propylbenzamide

N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-(trifluoromethyl)phenyl]-3-methyl-4-propylbenzamide (PubChem CID 165142642) has the molecular formula C23H28F3N3O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-(trifluoromethyl)phenyl]-3-methyl-4-propylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethylcarbamoyl]-5-(trifluoromethyl)phenyl]-3-methyl-4-propylbenzamide
PubChem CID165142642
Molecular FormulaC23H28F3N3O2
Molecular Weight435.49 g/mol
Exact Mass435.21
IUPAC NameN-[3-[2-(dimethylamino)ethylcarbamoyl]-5-(trifluoromethyl)phenyl]-3-methyl-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2cc(C(=O)NCCN(C)C)cc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C23H28F3N3O2/c1-5-6-16-7-8-17(11-15(16)2)22(31)28-20-13-18(12-19(14-20)23(24,25)26)21(30)27-9-10-29(3)4/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,27,30)(H,28,31)
InChIKeySJEWAVRMCUFYRI-UHFFFAOYSA-N
XLogP4.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 165142528
1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053234
4-butyl-3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 165142665
N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 59263648
1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053461
4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109083508
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
3-[[2-[4-(6,7-dimethoxyquinolin-2-yl)-2-fluorophenyl]acetyl]amino]-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide
CID 164853355
3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109053236
3-methyl-N-propyl-5-(trifluoromethyl)benzamide
CID 71119889
1-N-butyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043779
ethyl 4-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109053255

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-(trifluoromethyl)phenyl]-3-methyl-4-propylbenzamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-(trifluoromethyl)phenyl]-3-methyl-4-propylbenzamide (CID 165142642) is N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-(trifluoromethyl)phenyl]-3-methyl-4-propylbenzamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-(trifluoromethyl)phenyl]-3-methyl-4-propylbenzamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-(trifluoromethyl)phenyl]-3-methyl-4-propylbenzamide is CCCc1ccc(C(=O)Nc2cc(C(=O)NCCN(C)C)cc(C(F)(F)F)c2)cc1C.
What is the InChIKey of N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-(trifluoromethyl)phenyl]-3-methyl-4-propylbenzamide?
The InChIKey is SJEWAVRMCUFYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O2/c1-5-6-16-7-8-17(11-15(16)2)22(31)28-20-13-18(12-19(14-20)23(24,25)26)21(30)27-9-10-29(3)4/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,27,30)(H,28,31).
What are the key properties of N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-(trifluoromethyl)phenyl]-3-methyl-4-propylbenzamide?
N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-(trifluoromethyl)phenyl]-3-methyl-4-propylbenzamide has a molecular weight of 435.49 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-(trifluoromethyl)phenyl]-3-methyl-4-propylbenzamide is sourced from PubChem (CID 165142642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).