N,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide

C24H21F3N2O2 — CID 118041352

IUPACN,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
SMILESCc1ccccc1C(=O)N(C)c1ccccc1C(=O)N(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H21F3N2O2/c1-16-9-4-5-12-19(16)22(30)29(3)21-14-7-6-13-20(21)23(31)28(2)18-11-8-10-17(15-18)24(25,26)27/h4-15H,1-3H3
InChIKeyFDRKTMPJLDMXFG-UHFFFAOYSA-N
MW426.44 g/mol
LogP5.57
Rot. Bonds4

About N,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide

N,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide (PubChem CID 118041352) has the molecular formula C24H21F3N2O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
PubChem CID118041352
Molecular FormulaC24H21F3N2O2
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC NameN,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
SMILESCc1ccccc1C(=O)N(C)c1ccccc1C(=O)N(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H21F3N2O2/c1-16-9-4-5-12-19(16)22(30)29(3)21-14-7-6-13-20(21)23(31)28(2)18-11-8-10-17(15-18)24(25,26)27/h4-15H,1-3H3
InChIKeyFDRKTMPJLDMXFG-UHFFFAOYSA-N
XLogP5.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 22245166
N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane
CID 91376275
N,2-dimethyl-N-phenylbenzamide
CID 5222383
5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 70483864
3,5-dichloro-N-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1475846
N,2-dimethyl-N-(4-methylphenyl)benzamide
CID 58207098
2-methyl-N-[3-(3-methylbutanoylamino)propyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 42701944
[3-(trifluoromethyl)phenyl]methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 16510899
1-methyl-1-[3-(trifluoromethyl)phenyl]thiourea
CID 131849076
2-N,2-N-bis[3-(trifluoromethyl)phenyl]benzene-1,2-dicarboxamide
CID 53437295
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide
CID 110752792
2-hydroxy-N-methyl-N-(2-methylphenyl)benzamide
CID 20668349

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
The IUPAC name of N,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide (CID 118041352) is N,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for N,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for N,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide is Cc1ccccc1C(=O)N(C)c1ccccc1C(=O)N(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
The InChIKey is FDRKTMPJLDMXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O2/c1-16-9-4-5-12-19(16)22(30)29(3)21-14-7-6-13-20(21)23(31)28(2)18-11-8-10-17(15-18)24(25,26)27/h4-15H,1-3H3.
What are the key properties of N,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
N,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide has a molecular weight of 426.44 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 118041352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).