1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea

C17H17ClN2O2 — CID 3748194

IUPAC1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NC=Cc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-22-16-5-3-2-4-14(16)12-20-17(21)19-11-10-13-6-8-15(18)9-7-13/h2-11H,12H2,1H3,(H2,19,20,21)
InChIKeyHCZDXGMSNFPFFC-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.82
Rot. Bonds5

About 1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea

1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 3748194) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea
PubChem CID3748194
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NC=Cc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-22-16-5-3-2-4-14(16)12-20-17(21)19-11-10-13-6-8-15(18)9-7-13/h2-11H,12H2,1H3,(H2,19,20,21)
InChIKeyHCZDXGMSNFPFFC-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea
CID 44586473
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide
CID 110297627
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2,2-dimethoxyethyl)urea
CID 108908518
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea
CID 108908536
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108913694
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 4796977
1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38156060
1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903091
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108897450
(E)-3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 26268813

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea (CID 3748194) is 1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)NC=Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is HCZDXGMSNFPFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-22-16-5-3-2-4-14(16)12-20-17(21)19-11-10-13-6-8-15(18)9-7-13/h2-11H,12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea?
1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 316.79 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 3748194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).