N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide

C19H19F3N2O3 — CID 30379466

IUPACN,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1
InChIInChI=1S/C19H19F3N2O3/c1-24(2)18(26)15-4-3-5-16(10-15)23-17(25)14-8-6-13(7-9-14)11-27-12-19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,25)
InChIKeyVUXVUIGBZKRPHI-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.72
Rot. Bonds6

About N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide

N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide (PubChem CID 30379466) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
PubChem CID30379466
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC NameN,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1
InChIInChI=1S/C19H19F3N2O3/c1-24(2)18(26)15-4-3-5-16(10-15)23-17(25)14-8-6-13(7-9-14)11-27-12-19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,25)
InChIKeyVUXVUIGBZKRPHI-UHFFFAOYSA-N
XLogP3.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 46699470
N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide
CID 32626914
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55677099
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55489667
3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 24599016
3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 46474380
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 51339145
N-[3-(oxolan-2-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 46803189
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 24612049
N-[3-(dimethylcarbamoyl)phenyl]-3-fluoro-4-methylbenzamide
CID 30379250

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide (CID 30379466) is N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide is CN(C)C(=O)c1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1.
What is the InChIKey of N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide?
The InChIKey is VUXVUIGBZKRPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-24(2)18(26)15-4-3-5-16(10-15)23-17(25)14-8-6-13(7-9-14)11-27-12-19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,25).
What are the key properties of N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide?
N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide has a molecular weight of 380.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 30379466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).