1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea

C16H17ClN2O2 — CID 108885386

IUPAC1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)NCOc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c1-12-4-2-3-5-13(12)10-18-16(20)19-11-21-15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeyANGWHPQSIWFFBQ-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.48
Rot. Bonds5

About 1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea

1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea (PubChem CID 108885386) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
PubChem CID108885386
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)NCOc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c1-12-4-2-3-5-13(12)10-18-16(20)19-11-21-15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeyANGWHPQSIWFFBQ-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108881154
1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108897128
1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108893488
1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108877424
N'-[2-(4-chlorophenoxy)acetyl]-2-(2-methylphenyl)acetohydrazide
CID 26163587
1-[2-(4-chlorophenoxy)ethyl]-3-[(2-chlorophenyl)methyl]urea
CID 112970907
1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one
CID 105079492
1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea
CID 108885189
1-[2-(4-chlorophenoxy)ethyl]-3-[(2-fluorophenyl)methyl]urea
CID 112970906
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
1-[(2-methylphenyl)methyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974267
1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108885405

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea (CID 108885386) is 1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea is Cc1ccccc1CNC(=O)NCOc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea?
The InChIKey is ANGWHPQSIWFFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-12-4-2-3-5-13(12)10-18-16(20)19-11-21-15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea?
1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea has a molecular weight of 304.78 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 108885386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).