N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C24H21F3N2O2 — CID 46535520

IUPACN-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H21F3N2O2/c1-29(2)23(31)18-9-7-16(8-10-18)15-28-22(30)21-6-4-3-5-20(21)17-11-13-19(14-12-17)24(25,26)27/h3-14H,15H2,1-2H3,(H,28,30)
InChIKeyDLXMSXQNLBQTKK-UHFFFAOYSA-N
MW426.44 g/mol
LogP5.00
Rot. Bonds5

About N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 46535520) has the molecular formula C24H21F3N2O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID46535520
Molecular FormulaC24H21F3N2O2
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H21F3N2O2/c1-29(2)23(31)18-9-7-16(8-10-18)15-28-22(30)21-6-4-3-5-20(21)17-11-13-19(14-12-17)24(25,26)27/h3-14H,15H2,1-2H3,(H,28,30)
InChIKeyDLXMSXQNLBQTKK-UHFFFAOYSA-N
XLogP5.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70145257
4-methoxy-N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide
CID 60537647
N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide
CID 78882971
2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 134039227
2-methyl-N-[4-[[[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoyl]amino]methyl]phenyl]benzamide
CID 70144080
N-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide
CID 12051304
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275
1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-2-carboxamide
CID 12051311
N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 44758028
N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 35513604
N-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70144762

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 46535520) is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is CN(C)C(=O)c1ccc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is DLXMSXQNLBQTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O2/c1-29(2)23(31)18-9-7-16(8-10-18)15-28-22(30)21-6-4-3-5-20(21)17-11-13-19(14-12-17)24(25,26)27/h3-14H,15H2,1-2H3,(H,28,30).
What are the key properties of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 426.44 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 46535520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).