2-(benzylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide

C22H19F3N4O2 — CID 143812928

IUPAC2-(benzylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
SMILESNC(=O)c1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)ccc1NCc1ccccc1
InChIInChI=1S/C22H19F3N4O2/c23-22(24,25)15-7-4-8-16(11-15)28-21(31)29-17-9-10-19(18(12-17)20(26)30)27-13-14-5-2-1-3-6-14/h1-12,27H,13H2,(H2,26,30)(H2,28,29,31)
InChIKeyQSVBOIHVUWMOOA-UHFFFAOYSA-N
MW428.41 g/mol
LogP5.06
Rot. Bonds6

About 2-(benzylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide

2-(benzylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide (PubChem CID 143812928) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is 2-(benzylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide.

Molecular Properties

Compound Name2-(benzylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
PubChem CID143812928
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Name2-(benzylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
SMILESNC(=O)c1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)ccc1NCc1ccccc1
InChIInChI=1S/C22H19F3N4O2/c23-22(24,25)15-7-4-8-16(11-15)28-21(31)29-17-9-10-19(18(12-17)20(26)30)27-13-14-5-2-1-3-6-14/h1-12,27H,13H2,(H2,26,30)(H2,28,29,31)
InChIKeyQSVBOIHVUWMOOA-UHFFFAOYSA-N
XLogP5.06
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide
CID 171062567
2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 39997581
2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
CID 10268726
3-[[3-(trifluoromethyl)anilino]methyl]benzamide
CID 28571852
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
5-amino-3-(benzylamino)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 46948878
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280
2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109169562

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The IUPAC name of 2-(benzylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide (CID 143812928) is 2-(benzylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide.
What is the SMILES notation for 2-(benzylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The canonical SMILES for 2-(benzylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide is NC(=O)c1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)ccc1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The InChIKey is QSVBOIHVUWMOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c23-22(24,25)15-7-4-8-16(11-15)28-21(31)29-17-9-10-19(18(12-17)20(26)30)27-13-14-5-2-1-3-6-14/h1-12,27H,13H2,(H2,26,30)(H2,28,29,31).
What are the key properties of 2-(benzylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
2-(benzylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide has a molecular weight of 428.41 g/mol, XLogP of 5.06, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 143812928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).