1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea

C16H17ClN2O2 — CID 108991826

IUPAC1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C16H17ClN2O2/c1-3-21-15-7-5-4-6-14(15)19-16(20)18-13-9-8-12(17)10-11(13)2/h4-10H,3H2,1-2H3,(H2,18,19,20)
InChIKeyUULOZSCWKPDTQX-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.69
Rot. Bonds4

About 1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea

1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea (PubChem CID 108991826) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea
PubChem CID108991826
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C16H17ClN2O2/c1-3-21-15-7-5-4-6-14(15)19-16(20)18-13-9-8-12(17)10-11(13)2/h4-10H,3H2,1-2H3,(H2,18,19,20)
InChIKeyUULOZSCWKPDTQX-UHFFFAOYSA-N
XLogP4.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955185
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
N-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide
CID 17425680
1-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 6468024
2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide
CID 9102968
1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969838
1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea
CID 108881082
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524394
1-N'-(5-chloro-2-methylphenyl)-1-N-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982689
1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
CID 17283504
N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113207
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea (CID 108991826) is 1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea?
The InChIKey is UULOZSCWKPDTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-3-21-15-7-5-4-6-14(15)19-16(20)18-13-9-8-12(17)10-11(13)2/h4-10H,3H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea?
1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea has a molecular weight of 304.78 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea is sourced from PubChem (CID 108991826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).