N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide

C21H20F6N2O2 — CID 56511666

IUPACN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H20F6N2O2/c1-4-29(12-13-5-7-14(8-6-13)18(30)28(2)3)19(31)15-9-16(20(22,23)24)11-17(10-15)21(25,26)27/h5-11H,4,12H2,1-3H3
InChIKeyUCOOBQCAWNCFID-UHFFFAOYSA-N
MW446.39 g/mol
LogP5.09
Rot. Bonds5

About N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide (PubChem CID 56511666) has the molecular formula C21H20F6N2O2 and a molecular weight of 446.39 g/mol. Its IUPAC name is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
PubChem CID56511666
Molecular FormulaC21H20F6N2O2
Molecular Weight446.39 g/mol
Exact Mass446.14
IUPAC NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H20F6N2O2/c1-4-29(12-13-5-7-14(8-6-13)18(30)28(2)3)19(31)15-9-16(20(22,23)24)11-17(10-15)21(25,26)27/h5-11H,4,12H2,1-3H3
InChIKeyUCOOBQCAWNCFID-UHFFFAOYSA-N
XLogP5.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.39
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(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

4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide
CID 56511790
3,5-dichloro-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 2766762
4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512067
4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511907
CID 58886835
CID 58886835
4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide
CID 56512309
4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512454
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-3,5-bis(trifluoromethyl)benzamide
CID 90550067
[4-[[[3,5-bis(trifluoromethyl)benzoyl]-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate
CID 3543741
4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511941
4-[[buta-2,3-dienoyl(ethyl)amino]methyl]-N,N-dimethylbenzamide
CID 167790546
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide
CID 38371299

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide (CID 56511666) is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is UCOOBQCAWNCFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F6N2O2/c1-4-29(12-13-5-7-14(8-6-13)18(30)28(2)3)19(31)15-9-16(20(22,23)24)11-17(10-15)21(25,26)27/h5-11H,4,12H2,1-3H3.
What are the key properties of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide?
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 446.39 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 56511666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).