4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide

C15H12F3N3O2 — CID 108896282

IUPAC4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)10-3-7-12(8-4-10)21-14(23)20-11-5-1-9(2-6-11)13(19)22/h1-8H,(H2,19,22)(H2,20,21,23)
InChIKeyXUCQWLRTJREAOC-UHFFFAOYSA-N
MW323.27 g/mol
LogP3.45
Rot. Bonds3

About 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide

4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide (PubChem CID 108896282) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
PubChem CID108896282
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC Name4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)10-3-7-12(8-4-10)21-14(23)20-11-5-1-9(2-6-11)13(19)22/h1-8H,(H2,19,22)(H2,20,21,23)
InChIKeyXUCQWLRTJREAOC-UHFFFAOYSA-N
XLogP3.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 1013270
1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 2813478
4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344
4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 134055582
3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 151068564
3-(4-carbamoylphenyl)-5-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 139392279
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
1-[4-(2-aminoethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 154675698
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
[4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 11623295
1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea
CID 108910439

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The IUPAC name of 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide (CID 108896282) is 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide.
What is the SMILES notation for 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The canonical SMILES for 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide is NC(=O)c1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The InChIKey is XUCQWLRTJREAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2/c16-15(17,18)10-3-7-12(8-4-10)21-14(23)20-11-5-1-9(2-6-11)13(19)22/h1-8H,(H2,19,22)(H2,20,21,23).
What are the key properties of 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide has a molecular weight of 323.27 g/mol, XLogP of 3.45, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 108896282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).