1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea

C15H12ClN3O2 — CID 108991974

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H12ClN3O2/c1-21-14-6-5-11(16)8-13(14)19-15(20)18-12-4-2-3-10(7-12)9-17/h2-8H,1H3,(H2,18,19,20)
InChIKeyGJBIPPJDKXYGBF-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.86
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea

1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea (PubChem CID 108991974) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea
PubChem CID108991974
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H12ClN3O2/c1-21-14-6-5-11(16)8-13(14)19-15(20)18-12-4-2-3-10(7-12)9-17/h2-8H,1H3,(H2,18,19,20)
InChIKeyGJBIPPJDKXYGBF-UHFFFAOYSA-N
XLogP3.86
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-5-chlorophenyl)-3-(3-cyanophenyl)urea
CID 43245874
1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
CID 4251822
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
2-(5-chloro-2-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177849
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-cyanobenzoate
CID 2626302
N-(3-cyanophenyl)-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108955950
1-(5-chloro-2-methoxyphenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CID 56776853
3-[[6-(5-chloro-2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878241
1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea
CID 108875489
1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea
CID 108875508

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea (CID 108991974) is 1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea is COc1ccc(Cl)cc1NC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea?
The InChIKey is GJBIPPJDKXYGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-21-14-6-5-11(16)8-13(14)19-15(20)18-12-4-2-3-10(7-12)9-17/h2-8H,1H3,(H2,18,19,20).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea has a molecular weight of 301.73 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea is sourced from PubChem (CID 108991974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).