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

C15H15ClN2O3 — CID 5080990

IUPAC1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(Cl)cc2)cc(OC)c1
InChIInChI=1S/C15H15ClN2O3/c1-20-13-7-12(8-14(9-13)21-2)18-15(19)17-11-5-3-10(16)4-6-11/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyYYAGIKMIJOEZMX-UHFFFAOYSA-N
MW306.75 g/mol
LogP4.00
Rot. Bonds4

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

1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea (PubChem CID 5080990) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
PubChem CID5080990
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(Cl)cc2)cc(OC)c1
InChIInChI=1S/C15H15ClN2O3/c1-20-13-7-12(8-14(9-13)21-2)18-15(19)17-11-5-3-10(16)4-6-11/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyYYAGIKMIJOEZMX-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

N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108869362
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520
1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175721828
1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea
CID 23819690
1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869425
1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea
CID 108869515
1,3-bis(4-methoxyphenyl)urea
CID 139045428
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea
CID 172732018
1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175722040
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26688109

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea (CID 5080990) is 1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea is COc1cc(NC(=O)Nc2ccc(Cl)cc2)cc(OC)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea?
The InChIKey is YYAGIKMIJOEZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-20-13-7-12(8-14(9-13)21-2)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-(3,5-dimethoxyphenyl)urea?
1-(4-chlorophenyl)-3-(3,5-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-(3,5-dimethoxyphenyl)urea is sourced from PubChem (CID 5080990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).