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

C17H19ClN2O2 — CID 112970737

IUPAC1-[2-(3-chlorophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)NCCOc2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O2/c1-13-4-2-5-14(10-13)12-20-17(21)19-8-9-22-16-7-3-6-15(18)11-16/h2-7,10-11H,8-9,12H2,1H3,(H2,19,20,21)
InChIKeyDLQDNDFTKBBVBD-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.53
Rot. Bonds6

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

1-[2-(3-chlorophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea (PubChem CID 112970737) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
PubChem CID112970737
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-[2-(3-chlorophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)NCCOc2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O2/c1-13-4-2-5-14(10-13)12-20-17(21)19-8-9-22-16-7-3-6-15(18)11-16/h2-7,10-11H,8-9,12H2,1H3,(H2,19,20,21)
InChIKeyDLQDNDFTKBBVBD-UHFFFAOYSA-N
XLogP3.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-bromophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112971155
1-[2-(3-tert-butylphenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112972688
1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 86995214
1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 112970763
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112975114
1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973017
1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969922
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 38156912
1-[2-(2-bromophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112971033
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
1-(4-chloro-2-methylphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969960
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea?
The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea (CID 112970737) is 1-[2-(3-chlorophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea?
The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea is Cc1cccc(CNC(=O)NCCOc2cccc(Cl)c2)c1.
What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea?
The InChIKey is DLQDNDFTKBBVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-13-4-2-5-14(10-13)12-20-17(21)19-8-9-22-16-7-3-6-15(18)11-16/h2-7,10-11H,8-9,12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(3-chlorophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea?
1-[2-(3-chlorophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea has a molecular weight of 318.80 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea is sourced from PubChem (CID 112970737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).