1-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea

C15H15ClN2O3 — CID 730467

IUPAC1-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2O3/c1-20-12-7-8-14(21-2)13(9-12)18-15(19)17-11-5-3-10(16)4-6-11/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyPRHSVHKQIBEKCS-UHFFFAOYSA-N
MW306.75 g/mol
LogP4.00
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea

1-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea (PubChem CID 730467) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea
PubChem CID730467
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name1-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2O3/c1-20-12-7-8-14(21-2)13(9-12)18-15(19)17-11-5-3-10(16)4-6-11/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyPRHSVHKQIBEKCS-UHFFFAOYSA-N
XLogP4.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-Dimethoxyphenyl)-3-phenyl-2-thiourea
CID 730557
N-(4-Chloro-2,5-dimethoxyphenyl)acetamide
CID 243584
(4-Chloro-2,5-dimethoxyphenyl)thiourea
CID 2731180
N'-(4-chloro-2,5-dimethoxyphenyl)-N,N-dimethylthiourea
CID 2731210
1-(4-Chlorophenyl)-3-(4-methoxyphenyl)urea
CID 295294
1-(2,5-Dimethoxyphenyl)-3-[4-(sulfamoylamino)phenyl]urea
CID 71718790
N-[2-(3-chlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)urea
CID 971380
1-(4-Chlorophenyl)-3-(2-ethoxyphenyl)urea
CID 295292
1-(4-Chlorophenyl)-3-(3-(3-morpholinopropoxy)phenyl)urea
CID 25014696
1-(4-Chlorophenyl)-3-(4-fluoro-3-(3-morpholinopropoxy)phenyl)urea
CID 25014859
1-(3-Chlorophenyl)-3-(3-methoxyphenyl)urea
CID 295289
N-(5-Chloro-2-methoxyphenyl)-N'-(3,4-dichlorophenyl)urea
CID 295409

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea (CID 730467) is 1-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea is COc1ccc(OC)c(NC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea?
The InChIKey is PRHSVHKQIBEKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-20-12-7-8-14(21-2)13(9-12)18-15(19)17-11-5-3-10(16)4-6-11/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea?
1-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea has a molecular weight of 306.75 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea is sourced from PubChem (CID 730467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).