1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea

C16H17ClN2O3 — CID 108890719

IUPAC1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
SMILESCCOc1ccc(OCNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O3/c1-2-21-14-7-9-15(10-8-14)22-11-18-16(20)19-13-5-3-12(17)4-6-13/h3-10H,2,11H2,1H3,(H2,18,19,20)
InChIKeyZLOHSBMDTPBCOJ-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.90
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea

1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea (PubChem CID 108890719) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
PubChem CID108890719
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
SMILESCCOc1ccc(OCNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O3/c1-2-21-14-7-9-15(10-8-14)22-11-18-16(20)19-13-5-3-12(17)4-6-13/h3-10H,2,11H2,1H3,(H2,18,19,20)
InChIKeyZLOHSBMDTPBCOJ-UHFFFAOYSA-N
XLogP3.90
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890846
1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890615
1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892159
1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-ethoxyphenyl)urea
CID 20951383
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea
CID 108908387
1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea
CID 108885167
1-N-(4-chlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142941
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
CID 108987803
1-[(4-chlorophenoxy)methyl]-3-(2,2-diethoxyethyl)urea
CID 108885416

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea (CID 108890719) is 1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea is CCOc1ccc(OCNC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea?
The InChIKey is ZLOHSBMDTPBCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-2-21-14-7-9-15(10-8-14)22-11-18-16(20)19-13-5-3-12(17)4-6-13/h3-10H,2,11H2,1H3,(H2,18,19,20).
What are the key properties of 1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea?
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea has a molecular weight of 320.78 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea is sourced from PubChem (CID 108890719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).