N,N-dibenzyl-2-(propylamino)-5-(trifluoromethyl)benzamide

C25H25F3N2O — CID 113252829

IUPACN,N-dibenzyl-2-(propylamino)-5-(trifluoromethyl)benzamide
SMILESCCCNc1ccc(C(F)(F)F)cc1C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H25F3N2O/c1-2-15-29-23-14-13-21(25(26,27)28)16-22(23)24(31)30(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-14,16,29H,2,15,17-18H2,1H3
InChIKeyXUFMTHKJKMWUGZ-UHFFFAOYSA-N
MW426.48 g/mol
LogP6.37
Rot. Bonds8

About N,N-dibenzyl-2-(propylamino)-5-(trifluoromethyl)benzamide

N,N-dibenzyl-2-(propylamino)-5-(trifluoromethyl)benzamide (PubChem CID 113252829) has the molecular formula C25H25F3N2O and a molecular weight of 426.48 g/mol. Its IUPAC name is N,N-dibenzyl-2-(propylamino)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(propylamino)-5-(trifluoromethyl)benzamide
PubChem CID113252829
Molecular FormulaC25H25F3N2O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC NameN,N-dibenzyl-2-(propylamino)-5-(trifluoromethyl)benzamide
SMILESCCCNc1ccc(C(F)(F)F)cc1C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H25F3N2O/c1-2-15-29-23-14-13-21(25(26,27)28)16-22(23)24(31)30(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-14,16,29H,2,15,17-18H2,1H3
InChIKeyXUFMTHKJKMWUGZ-UHFFFAOYSA-N
XLogP6.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-dibenzyl-2-(propylamino)-5-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(butylamino)-5-(trifluoromethyl)benzoic acid
CID 22143324
N-methoxy-N-methyl-2-(propylamino)-4-(trifluoromethyl)benzamide
CID 86649954
2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide
CID 62664652
N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698347
2-(propylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 66269363
N,N-diethyl-2-(propylamino)benzamide
CID 62171276
3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride
CID 119893579
tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 141074386
2-[(2-hydroxy-2-methylpropyl)amino]-5-(trifluoromethyl)benzoic acid
CID 114093515
N-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide
CID 42785998
2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119893557
1-N,3-N-dipropyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,3-dicarboxamide;hydrochloride
CID 69321298

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(propylamino)-5-(trifluoromethyl)benzamide?
The IUPAC name of N,N-dibenzyl-2-(propylamino)-5-(trifluoromethyl)benzamide (CID 113252829) is N,N-dibenzyl-2-(propylamino)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N,N-dibenzyl-2-(propylamino)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N,N-dibenzyl-2-(propylamino)-5-(trifluoromethyl)benzamide is CCCNc1ccc(C(F)(F)F)cc1C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-(propylamino)-5-(trifluoromethyl)benzamide?
The InChIKey is XUFMTHKJKMWUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O/c1-2-15-29-23-14-13-21(25(26,27)28)16-22(23)24(31)30(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-14,16,29H,2,15,17-18H2,1H3.
What are the key properties of N,N-dibenzyl-2-(propylamino)-5-(trifluoromethyl)benzamide?
N,N-dibenzyl-2-(propylamino)-5-(trifluoromethyl)benzamide has a molecular weight of 426.48 g/mol, XLogP of 6.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(propylamino)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 113252829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).