N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide

C18H14F6N2O2 — CID 39233175

IUPACN-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H14F6N2O2/c1-26(2)16(28)13-5-3-4-6-14(13)25-15(27)10-7-11(17(19,20)21)9-12(8-10)18(22,23)24/h3-9H,1-2H3,(H,25,27)
InChIKeyOIMAATOFFJYMOK-UHFFFAOYSA-N
MW404.31 g/mol
LogP4.68
Rot. Bonds3

About N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide

N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 39233175) has the molecular formula C18H14F6N2O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID39233175
Molecular FormulaC18H14F6N2O2
Molecular Weight404.31 g/mol
Exact Mass404.10
IUPAC NameN-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H14F6N2O2/c1-26(2)16(28)13-5-3-4-6-14(13)25-15(27)10-7-11(17(19,20)21)9-12(8-10)18(22,23)24/h3-9H,1-2H3,(H,25,27)
InChIKeyOIMAATOFFJYMOK-UHFFFAOYSA-N
XLogP4.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 60592332
N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 134460179
2-[(4-fluorobenzoyl)amino]-N,N-dimethylbenzamide
CID 4942407
N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 55487840
N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25494632
N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 177411899
N-[2-(dimethylcarbamoyl)phenyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 86955511
N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide
CID 78882971
methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-4-hydroxybenzoate
CID 86597400
N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2094760
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
N-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 2542213

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide (CID 39233175) is N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide is CN(C)C(=O)c1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is OIMAATOFFJYMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N2O2/c1-26(2)16(28)13-5-3-4-6-14(13)25-15(27)10-7-11(17(19,20)21)9-12(8-10)18(22,23)24/h3-9H,1-2H3,(H,25,27).
What are the key properties of N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide?
N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 404.31 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 39233175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).