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

C12H15ClN2O — CID 108908294

IUPAC1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea
SMILESCCCNC(=O)N/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O/c1-2-8-14-12(16)15-9-7-10-3-5-11(13)6-4-10/h3-7,9H,2,8H2,1H3,(H2,14,15,16)/b9-7+
InChIKeyCRPVNAUNJYUOBQ-VQHVLOKHSA-N
MW238.72 g/mol
LogP3.02
Rot. Bonds4

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

1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea (PubChem CID 108908294) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea.

Molecular Properties

Compound Name1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea
PubChem CID108908294
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea
SMILESCCCNC(=O)N/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O/c1-2-8-14-12(16)15-9-7-10-3-5-11(13)6-4-10/h3-7,9H,2,8H2,1H3,(H2,14,15,16)/b9-7+
InChIKeyCRPVNAUNJYUOBQ-VQHVLOKHSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-phenylethenyl]-3-propylurea
CID 108903089
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea
CID 108908330
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-methylpropyl)urea
CID 108908327
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108908555
1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108908999
1-butyl-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907214
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2,2-dimethoxyethyl)urea
CID 108908518
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-pentylurea
CID 108906578
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea
CID 108908536
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea
CID 108908585
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea
CID 108908387
1-[4-(4-chlorophenyl)butyl]-3-propylurea
CID 110357504

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea?
The IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea (CID 108908294) is 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea.
What is the SMILES notation for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea?
The canonical SMILES for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea is CCCNC(=O)N/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea?
The InChIKey is CRPVNAUNJYUOBQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-2-8-14-12(16)15-9-7-10-3-5-11(13)6-4-10/h3-7,9H,2,8H2,1H3,(H2,14,15,16)/b9-7+.
What are the key properties of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea?
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea has a molecular weight of 238.72 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea is sourced from PubChem (CID 108908294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).