1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea

C17H17ClN2O2 — CID 108908387

IUPAC1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)N/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-2-22-16-9-7-15(8-10-16)20-17(21)19-12-11-13-3-5-14(18)6-4-13/h3-12H,2H2,1H3,(H2,19,20,21)/b12-11+
InChIKeyPSOACAPHOGFYHK-VAWYXSNFSA-N
MW316.79 g/mol
LogP4.53
Rot. Bonds5

About 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea

1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea (PubChem CID 108908387) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea
PubChem CID108908387
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)N/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-2-22-16-9-7-15(8-10-16)20-17(21)19-12-11-13-3-5-14(18)6-4-13/h3-12H,2H2,1H3,(H2,19,20,21)/b12-11+
InChIKeyPSOACAPHOGFYHK-VAWYXSNFSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906155
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea
CID 108908536
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719
N-[(4-ethoxyphenyl)carbamoyl]formamide
CID 174454424
1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907679
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907784
1-(3-chloro-4-methylphenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea
CID 108908299
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea
CID 108908294
(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 17195487

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea (CID 108908387) is 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)N/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea?
The InChIKey is PSOACAPHOGFYHK-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-2-22-16-9-7-15(8-10-16)20-17(21)19-12-11-13-3-5-14(18)6-4-13/h3-12H,2H2,1H3,(H2,19,20,21)/b12-11+.
What are the key properties of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea?
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea has a molecular weight of 316.79 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 108908387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).