N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide

C19H19F3N2O2 — CID 17435315

IUPACN-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H19F3N2O2/c1-3-24(4-2)18(26)14-8-6-10-16(12-14)23-17(25)13-7-5-9-15(11-13)19(20,21)22/h5-12H,3-4H2,1-2H3,(H,23,25)
InChIKeyXBFSEZOLYSKIDS-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.44
Rot. Bonds5

About N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide

N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 17435315) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID17435315
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H19F3N2O2/c1-3-24(4-2)18(26)14-8-6-10-16(12-14)23-17(25)13-7-5-9-15(11-13)19(20,21)22/h5-12H,3-4H2,1-2H3,(H,23,25)
InChIKeyXBFSEZOLYSKIDS-UHFFFAOYSA-N
XLogP4.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(diethylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54841572
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate
CID 61383269
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide
CID 141125198
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 79380762
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide
CID 26070782
N,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide
CID 54834141

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide (CID 17435315) is N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide is CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is XBFSEZOLYSKIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-3-24(4-2)18(26)14-8-6-10-16(12-14)23-17(25)13-7-5-9-15(11-13)19(20,21)22/h5-12H,3-4H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide?
N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 364.37 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 17435315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).