3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea

C11H15ClN2O2 — CID 19834572

IUPAC3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
SMILESCCOc1ccc(NC(=O)N(C)C)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-4-16-10-6-5-8(7-9(10)12)13-11(15)14(2)3/h5-7H,4H2,1-3H3,(H,13,15)
InChIKeyYKYGJHGXTSEGDB-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.83
Rot. Bonds3

About 3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea

3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea (PubChem CID 19834572) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
PubChem CID19834572
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
SMILESCCOc1ccc(NC(=O)N(C)C)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-4-16-10-6-5-8(7-9(10)12)13-11(15)14(2)3/h5-7H,4H2,1-3H3,(H,13,15)
InChIKeyYKYGJHGXTSEGDB-UHFFFAOYSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[4-(3-bromo-3-phenylpropoxy)-3-chlorophenyl]-1,1-dimethylurea
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N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
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3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
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3-[3-chloro-4-[1-(2-methylphenyl)propoxy]phenyl]-1,1-dimethylurea
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CID 79199515
(2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea?
The IUPAC name of 3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea (CID 19834572) is 3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea is CCOc1ccc(NC(=O)N(C)C)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea?
The InChIKey is YKYGJHGXTSEGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-4-16-10-6-5-8(7-9(10)12)13-11(15)14(2)3/h5-7H,4H2,1-3H3,(H,13,15).
What are the key properties of 3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea?
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea has a molecular weight of 242.71 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea is sourced from PubChem (CID 19834572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).