2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C18H18F3N3O2 — CID 35966446

IUPAC2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C18H18F3N3O2/c1-24(2)13-7-5-6-12(10-13)16(25)23-15-9-4-3-8-14(15)17(26)22-11-18(19,20)21/h3-10H,11H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyFDHKVHAJRFVOIS-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.30
Rot. Bonds5

About 2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 35966446) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID35966446
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C18H18F3N3O2/c1-24(2)13-7-5-6-12(10-13)16(25)23-15-9-4-3-8-14(15)17(26)22-11-18(19,20)21/h3-10H,11H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyFDHKVHAJRFVOIS-UHFFFAOYSA-N
XLogP3.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 17426970
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55870514
6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 36661694
2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
CID 17417413
2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46451358
2-[[3-[benzyl(methyl)amino]benzoyl]amino]-N-methylbenzamide
CID 110606707
2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55492050
2-[(3-fluorobenzoyl)amino]-N-propylbenzamide
CID 8002041
N-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide
CID 43146782
2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 9172409
3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2319650
3-(dimethylamino)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26522946

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 35966446) is 2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is CN(C)c1cccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is FDHKVHAJRFVOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-24(2)13-7-5-6-12(10-13)16(25)23-15-9-4-3-8-14(15)17(26)22-11-18(19,20)21/h3-10H,11H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 365.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 35966446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).