1-(4-chlorophenyl)-3-(3,3-diphenylpropyl)urea

C22H21ClN2O — CID 3431830

IUPAC1-(4-chlorophenyl)-3-(3,3-diphenylpropyl)urea
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O/c23-19-11-13-20(14-12-19)25-22(26)24-16-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H2,24,25,26)
InChIKeyFVVUFTXFMCPUAO-UHFFFAOYSA-N
MW364.88 g/mol
LogP5.68
Rot. Bonds6

About 1-(4-chlorophenyl)-3-(3,3-diphenylpropyl)urea

1-(4-chlorophenyl)-3-(3,3-diphenylpropyl)urea (PubChem CID 3431830) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3,3-diphenylpropyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3,3-diphenylpropyl)urea
PubChem CID3431830
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name1-(4-chlorophenyl)-3-(3,3-diphenylpropyl)urea
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O/c23-19-11-13-20(14-12-19)25-22(26)24-16-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H2,24,25,26)
InChIKeyFVVUFTXFMCPUAO-UHFFFAOYSA-N
XLogP5.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.88
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3,3-diphenylpropyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3,3-diphenylpropyl)urea (CID 3431830) is 1-(4-chlorophenyl)-3-(3,3-diphenylpropyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3,3-diphenylpropyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3,3-diphenylpropyl)urea is O=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3,3-diphenylpropyl)urea?
The InChIKey is FVVUFTXFMCPUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c23-19-11-13-20(14-12-19)25-22(26)24-16-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H2,24,25,26).
What are the key properties of 1-(4-chlorophenyl)-3-(3,3-diphenylpropyl)urea?
1-(4-chlorophenyl)-3-(3,3-diphenylpropyl)urea has a molecular weight of 364.88 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3,3-diphenylpropyl)urea is sourced from PubChem (CID 3431830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).