3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea

C23H20ClF3N2O — CID 42696051

IUPAC3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESCC(c1ccccc1)N(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H20ClF3N2O/c1-16(18-6-3-2-4-7-18)29(22(30)28-21-9-5-8-20(24)14-21)15-17-10-12-19(13-11-17)23(25,26)27/h2-14,16H,15H2,1H3,(H,28,30)
InChIKeyVNFITZTVHFEEJD-UHFFFAOYSA-N
MW432.87 g/mol
LogP7.15
Rot. Bonds5

About 3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea

3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 42696051) has the molecular formula C23H20ClF3N2O and a molecular weight of 432.87 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID42696051
Molecular FormulaC23H20ClF3N2O
Molecular Weight432.87 g/mol
Exact Mass432.12
IUPAC Name3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESCC(c1ccccc1)N(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H20ClF3N2O/c1-16(18-6-3-2-4-7-18)29(22(30)28-21-9-5-8-20(24)14-21)15-17-10-12-19(13-11-17)23(25,26)27/h2-14,16H,15H2,1H3,(H,28,30)
InChIKeyVNFITZTVHFEEJD-UHFFFAOYSA-N
XLogP7.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.87
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-tert-butylphenyl)methyl]-3-(3-fluorophenyl)-1-(1-phenylethyl)urea
CID 42697504
1-(1,3-benzodioxol-5-ylmethyl)-1-(1-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 42725116
1-benzyl-3-(3-chlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea
CID 42695687
2-[(3-chlorophenyl)carbamoyl-propan-2-ylamino]-N-[2-(1H-indol-3-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 42772681
(2S)-2-[[(1R)-1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68769278
(2R)-2-[[1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 162541004
3-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)urea
CID 42657009
N-benzyl-3-[1-phenylethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanamide
CID 42698745
1-benzyl-3-(3-fluorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 1057646
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 38622489
3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
CID 47065731
1-[(1-benzylpyrrol-2-yl)methyl]-3-(3-chlorophenyl)-1-propan-2-ylurea
CID 42762830

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea (CID 42696051) is 3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea is CC(c1ccccc1)N(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is VNFITZTVHFEEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N2O/c1-16(18-6-3-2-4-7-18)29(22(30)28-21-9-5-8-20(24)14-21)15-17-10-12-19(13-11-17)23(25,26)27/h2-14,16H,15H2,1H3,(H,28,30).
What are the key properties of 3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea?
3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 432.87 g/mol, XLogP of 7.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 42696051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).