1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea

C22H20Cl2N2O — CID 4586942

IUPAC1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H20Cl2N2O/c23-18-11-12-21(20(24)15-18)26-22(27)25-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2,(H2,25,26,27)
InChIKeySURSJIJNWKYZQA-UHFFFAOYSA-N
MW399.32 g/mol
LogP6.34
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea

1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea (PubChem CID 4586942) has the molecular formula C22H20Cl2N2O and a molecular weight of 399.32 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
PubChem CID4586942
Molecular FormulaC22H20Cl2N2O
Molecular Weight399.32 g/mol
Exact Mass398.10
IUPAC Name1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H20Cl2N2O/c23-18-11-12-21(20(24)15-18)26-22(27)25-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2,(H2,25,26,27)
InChIKeySURSJIJNWKYZQA-UHFFFAOYSA-N
XLogP6.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.32
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
CID 3334285
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea
CID 17087721
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,4-dichlorophenyl)urea
CID 51944288
(2S)-4-[(2-chlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114006714
2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]butanoic acid
CID 65219369
4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide
CID 63323928
1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea
CID 99872943
1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea
CID 3314050
[2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2343937
1-(3,3-diphenylpropyl)-3-[2-(methoxymethyl)phenyl]urea
CID 52601128
N-[3-(3,3-diphenylpropylcarbamoylamino)phenyl]acetamide
CID 31957316
1-(4-amino-2-chlorophenyl)-3-(3-methylbutyl)urea
CID 127574183

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea (CID 4586942) is 1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea is O=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea?
The InChIKey is SURSJIJNWKYZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O/c23-18-11-12-21(20(24)15-18)26-22(27)25-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2,(H2,25,26,27).
What are the key properties of 1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea?
1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea has a molecular weight of 399.32 g/mol, XLogP of 6.34, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea is sourced from PubChem (CID 4586942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).