1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea

C17H19ClN2O2 — CID 112969922

IUPAC1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
SMILESCc1cccc(OCCNC(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C17H19ClN2O2/c1-13-5-4-7-15(11-13)22-10-9-19-17(21)20-12-14-6-2-3-8-16(14)18/h2-8,11H,9-10,12H2,1H3,(H2,19,20,21)
InChIKeyJZKPZXSIALGLJD-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.53
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea

1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea (PubChem CID 112969922) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
PubChem CID112969922
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
SMILESCc1cccc(OCCNC(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C17H19ClN2O2/c1-13-5-4-7-15(11-13)22-10-9-19-17(21)20-12-14-6-2-3-8-16(14)18/h2-8,11H,9-10,12H2,1H3,(H2,19,20,21)
InChIKeyJZKPZXSIALGLJD-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-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975628
1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974570
1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108897731
1-[2-(4-chlorophenoxy)ethyl]-3-[(2-chlorophenyl)methyl]urea
CID 112970907
1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975273
1-[2-(3-chlorophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112970737
1-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methyl]urea
CID 108897773
1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 35646115
N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 6915501
1-(4-chloro-2-methylphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969960
N-[(2,4-dichlorophenyl)methyl]-3-(3-methylphenoxy)propanamide
CID 2446420
1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 112971837

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea (CID 112969922) is 1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea is Cc1cccc(OCCNC(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea?
The InChIKey is JZKPZXSIALGLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-13-5-4-7-15(11-13)22-10-9-19-17(21)20-12-14-6-2-3-8-16(14)18/h2-8,11H,9-10,12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea?
1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]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-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea is sourced from PubChem (CID 112969922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).