1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea

C17H19ClN2O2 — CID 112969838

IUPAC1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
SMILESCc1cc(Cl)ccc1NC(=O)NCCOc1ccccc1C
InChIInChI=1S/C17H19ClN2O2/c1-12-5-3-4-6-16(12)22-10-9-19-17(21)20-15-8-7-14(18)11-13(15)2/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyJLTPWOHKIGRSMA-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.16
Rot. Bonds5

About 1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea

1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea (PubChem CID 112969838) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
PubChem CID112969838
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
SMILESCc1cc(Cl)ccc1NC(=O)NCCOc1ccccc1C
InChIInChI=1S/C17H19ClN2O2/c1-12-5-3-4-6-16(12)22-10-9-19-17(21)20-15-8-7-14(18)11-13(15)2/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyJLTPWOHKIGRSMA-UHFFFAOYSA-N
XLogP4.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.16
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-(4-chloro-2-methylphenyl)-3-[2-(2,6-dimethylphenoxy)ethyl]urea
CID 112973357
1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883820
1-(4-hydroxy-2-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883755
1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969888
1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883801
1-(4-chloro-2-methylphenyl)-3-[2-(3,4-dimethylphenoxy)ethyl]urea
CID 112974174
1-(4-chloro-2-methylphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969960
N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide
CID 72873722
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973750
1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea
CID 108991826
1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108884029

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea (CID 112969838) is 1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea is Cc1cc(Cl)ccc1NC(=O)NCCOc1ccccc1C.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea?
The InChIKey is JLTPWOHKIGRSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12-5-3-4-6-16(12)22-10-9-19-17(21)20-15-8-7-14(18)11-13(15)2/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea?
1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea has a molecular weight of 318.80 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea is sourced from PubChem (CID 112969838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).