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

C22H20Cl2N2O — CID 3334285

IUPAC1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H20Cl2N2O/c23-20-12-11-18(15-21(20)24)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)
InChIKeySYXLGELGZVHYKQ-UHFFFAOYSA-N
MW399.32 g/mol
LogP6.34
Rot. Bonds6

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

1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea (PubChem CID 3334285) has the molecular formula C22H20Cl2N2O and a molecular weight of 399.32 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
PubChem CID3334285
Molecular FormulaC22H20Cl2N2O
Molecular Weight399.32 g/mol
Exact Mass398.10
IUPAC Name1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H20Cl2N2O/c23-20-12-11-18(15-21(20)24)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)
InChIKeySYXLGELGZVHYKQ-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

N-[3-(3,3-diphenylpropylcarbamoylamino)phenyl]acetamide
CID 31957316
4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107835081
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
CID 4586942
N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
CID 1019297
1-(2-benzylsulfanylethyl)-3-(3,4-dichlorophenyl)urea
CID 100569621
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea
CID 17087721
5-[(3,4-dichlorophenyl)carbamoylamino]pentanoic acid
CID 4083960
methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate
CID 3810392
1-[2-(4-chlorophenyl)sulfanylethyl]-3-(3,4-dichlorophenyl)urea
CID 2172172
4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide
CID 52667442

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea (CID 3334285) is 1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea is O=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea?
The InChIKey is SYXLGELGZVHYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O/c23-20-12-11-18(15-21(20)24)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-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea?
1-(3,4-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-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea is sourced from PubChem (CID 3334285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).