1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea

C16H16Cl2N2O2 — CID 108992164

IUPAC1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O2/c1-10(2)22-13-6-4-12(5-7-13)19-16(21)20-15-9-11(17)3-8-14(15)18/h3-10H,1-2H3,(H2,19,20,21)
InChIKeyOIZZMBWIWPFRJE-UHFFFAOYSA-N
MW339.22 g/mol
LogP5.42
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea

1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea (PubChem CID 108992164) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea
PubChem CID108992164
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O2/c1-10(2)22-13-6-4-12(5-7-13)19-16(21)20-15-9-11(17)3-8-14(15)18/h3-10H,1-2H3,(H2,19,20,21)
InChIKeyOIZZMBWIWPFRJE-UHFFFAOYSA-N
XLogP5.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.22
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108991783
1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108886172
1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108991931
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822319
3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109038449
1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea
CID 113216348
(2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604763
1-(4-amino-3-chlorophenyl)-3-(2,5-dichlorophenyl)urea
CID 82861443
N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
CID 55351392
1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea
CID 108886244
N-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108969119

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea (CID 108992164) is 1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea is CC(C)Oc1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea?
The InChIKey is OIZZMBWIWPFRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-10(2)22-13-6-4-12(5-7-13)19-16(21)20-15-9-11(17)3-8-14(15)18/h3-10H,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea?
1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea has a molecular weight of 339.22 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 108992164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).