N-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide

C32H30F3N3O2 — CID 42704140

IUPACN-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide
SMILESO=C(Nc1ccccc1C(F)(F)F)NC(Cc1ccccc1)C(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H30F3N3O2/c33-32(34,35)27-18-10-11-19-28(27)36-31(40)37-29(22-25-14-6-2-7-15-25)30(39)38(23-26-16-8-3-9-17-26)21-20-24-12-4-1-5-13-24/h1-19,29H,20-23H2,(H2,36,37,40)
InChIKeyIQCWNGAEEFCVSK-UHFFFAOYSA-N
MW545.61 g/mol
LogP6.71
Rot. Bonds10

About N-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide

N-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide (PubChem CID 42704140) has the molecular formula C32H30F3N3O2 and a molecular weight of 545.61 g/mol. Its IUPAC name is N-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide
PubChem CID42704140
Molecular FormulaC32H30F3N3O2
Molecular Weight545.61 g/mol
Exact Mass545.23
IUPAC NameN-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide
SMILESO=C(Nc1ccccc1C(F)(F)F)NC(Cc1ccccc1)C(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H30F3N3O2/c33-32(34,35)27-18-10-11-19-28(27)36-31(40)37-29(22-25-14-6-2-7-15-25)30(39)38(23-26-16-8-3-9-17-26)21-20-24-12-4-1-5-13-24/h1-19,29H,20-23H2,(H2,36,37,40)
InChIKeyIQCWNGAEEFCVSK-UHFFFAOYSA-N
XLogP6.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.61
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[(2-bromophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 42704142
N-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 10229409
N-[1-[benzyl(2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-chloro-2,2-dimethylpropanamide
CID 42704128
1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 60554553
3-methyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanamide
CID 42703737
N-benzyl-3-[cyclohexyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)propanamide
CID 42699431
3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113118316
1-(2-hydroxy-3-phenylpropyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 56765329
N-benzyl-N-ethyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108963299
ethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate
CID 42697979
2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113165897
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 42702037

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide?
The IUPAC name of N-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide (CID 42704140) is N-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide.
What is the SMILES notation for N-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide?
The canonical SMILES for N-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide is O=C(Nc1ccccc1C(F)(F)F)NC(Cc1ccccc1)C(=O)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide?
The InChIKey is IQCWNGAEEFCVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F3N3O2/c33-32(34,35)27-18-10-11-19-28(27)36-31(40)37-29(22-25-14-6-2-7-15-25)30(39)38(23-26-16-8-3-9-17-26)21-20-24-12-4-1-5-13-24/h1-19,29H,20-23H2,(H2,36,37,40).
What are the key properties of N-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide?
N-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide has a molecular weight of 545.61 g/mol, XLogP of 6.71, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide is sourced from PubChem (CID 42704140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).