1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea

C17H17ClN2O2 — CID 17122466

IUPAC1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea
SMILESC=C(C)COc1cccc(NC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H17ClN2O2/c1-12(2)11-22-16-8-4-7-15(10-16)20-17(21)19-14-6-3-5-13(18)9-14/h3-10H,1,11H2,2H3,(H2,19,20,21)
InChIKeyCXPILQWYYCFORX-UHFFFAOYSA-N
MW316.79 g/mol
LogP4.94
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea

1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea (PubChem CID 17122466) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea
PubChem CID17122466
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea
SMILESC=C(C)COc1cccc(NC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H17ClN2O2/c1-12(2)11-22-16-8-4-7-15(10-16)20-17(21)19-14-6-3-5-13(18)9-14/h3-10H,1,11H2,2H3,(H2,19,20,21)
InChIKeyCXPILQWYYCFORX-UHFFFAOYSA-N
XLogP4.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54809113
3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17122474
1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea
CID 17096715
bis[3-[[3-(2-methylprop-2-enoxy)phenyl]carbamoylamino]phenyl] benzene-1,3-disulfonate
CID 155659657
2-(4-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810204
1-(3-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea
CID 17133229
1-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide
CID 110929038
2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 168520883
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
methyl 4-[[3-(2-methylprop-2-enoxy)phenyl]carbamoyl]benzoate
CID 17178302
N-(3-methoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825899
2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54826557

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea (CID 17122466) is 1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea is C=C(C)COc1cccc(NC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea?
The InChIKey is CXPILQWYYCFORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12(2)11-22-16-8-4-7-15(10-16)20-17(21)19-14-6-3-5-13(18)9-14/h3-10H,1,11H2,2H3,(H2,19,20,21).
What are the key properties of 1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea?
1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea has a molecular weight of 316.79 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea is sourced from PubChem (CID 17122466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).