1-(2-chlorophenyl)-3-(2-propoxyphenyl)urea

C16H17ClN2O2 — CID 2194833

IUPAC1-(2-chlorophenyl)-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-2-11-21-15-10-6-5-9-14(15)19-16(20)18-13-8-4-3-7-12(13)17/h3-10H,2,11H2,1H3,(H2,18,19,20)
InChIKeyQYIWNLHQOUVGCL-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.77
Rot. Bonds5

About 1-(2-chlorophenyl)-3-(2-propoxyphenyl)urea

1-(2-chlorophenyl)-3-(2-propoxyphenyl)urea (PubChem CID 2194833) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2-propoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2-propoxyphenyl)urea
PubChem CID2194833
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-(2-chlorophenyl)-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-2-11-21-15-10-6-5-9-14(15)19-16(20)18-13-8-4-3-7-12(13)17/h3-10H,2,11H2,1H3,(H2,18,19,20)
InChIKeyQYIWNLHQOUVGCL-UHFFFAOYSA-N
XLogP4.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2-propoxyphenyl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(2-propoxyphenyl)urea (CID 2194833) is 1-(2-chlorophenyl)-3-(2-propoxyphenyl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2-propoxyphenyl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2-propoxyphenyl)urea is CCCOc1ccccc1NC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2-propoxyphenyl)urea?
The InChIKey is QYIWNLHQOUVGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-11-21-15-10-6-5-9-14(15)19-16(20)18-13-8-4-3-7-12(13)17/h3-10H,2,11H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-chlorophenyl)-3-(2-propoxyphenyl)urea?
1-(2-chlorophenyl)-3-(2-propoxyphenyl)urea has a molecular weight of 304.78 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2-propoxyphenyl)urea is sourced from PubChem (CID 2194833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).