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

C16H17ClN2O2 — CID 17096715

IUPAC1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea
SMILESCCCOc1cccc(NC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O2/c1-2-9-21-15-8-4-7-14(11-15)19-16(20)18-13-6-3-5-12(17)10-13/h3-8,10-11H,2,9H2,1H3,(H2,18,19,20)
InChIKeyLJMNIYKZIUWEJV-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.77
Rot. Bonds5

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

1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea (PubChem CID 17096715) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea
PubChem CID17096715
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea
SMILESCCCOc1cccc(NC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O2/c1-2-9-21-15-8-4-7-14(11-15)19-16(20)18-13-6-3-5-12(17)10-13/h3-8,10-11H,2,9H2,1H3,(H2,18,19,20)
InChIKeyLJMNIYKZIUWEJV-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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Related Compounds

1-(3-chlorophenyl)-3-[(Z)-(3-propoxyphenyl)methylideneamino]urea
CID 110536997
1-(3-chlorophenyl)-3-(2-nitro-4-propoxyphenyl)urea
CID 110493012
1-(3-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea
CID 17133229
N-(3-chlorophenyl)-4-propoxybenzamide
CID 4938336
1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea
CID 17122466
4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide
CID 38825151
1-(3-chlorophenyl)-3-[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 110537001
2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
CID 54809292
1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea
CID 63121094
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
3-chloro-N-(3-hexoxyphenyl)benzamide
CID 17094792

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea (CID 17096715) is 1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea is CCCOc1cccc(NC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea?
The InChIKey is LJMNIYKZIUWEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-9-21-15-8-4-7-14(11-15)19-16(20)18-13-6-3-5-12(17)10-13/h3-8,10-11H,2,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea?
1-(3-chlorophenyl)-3-(3-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-(3-chlorophenyl)-3-(3-propoxyphenyl)urea is sourced from PubChem (CID 17096715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).