1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea

C11H13ClN2O2 — CID 115640180

IUPAC1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea
SMILESC=C(Cl)CNC(=O)Nc1ccccc1OC
InChIInChI=1S/C11H13ClN2O2/c1-8(12)7-13-11(15)14-9-5-3-4-6-10(9)16-2/h3-6H,1,7H2,2H3,(H2,13,14,15)
InChIKeyKZAZVRKQSQBELM-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.57
Rot. Bonds4

About 1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea

1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea (PubChem CID 115640180) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea
PubChem CID115640180
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea
SMILESC=C(Cl)CNC(=O)Nc1ccccc1OC
InChIInChI=1S/C11H13ClN2O2/c1-8(12)7-13-11(15)14-9-5-3-4-6-10(9)16-2/h3-6H,1,7H2,2H3,(H2,13,14,15)
InChIKeyKZAZVRKQSQBELM-UHFFFAOYSA-N
XLogP2.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methoxyphenyl)carbamoylamino]-N-propylacetamide
CID 27868610
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
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1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
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1-(2-methoxyphenyl)-3-(phenoxymethyl)urea
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1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea
CID 94813267
1-(2-azidoethyl)-3-(2-methoxyphenyl)urea
CID 61342696
1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea
CID 55102521
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 3844619
1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea
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CID 62666828

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea (CID 115640180) is 1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea is C=C(Cl)CNC(=O)Nc1ccccc1OC.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea?
The InChIKey is KZAZVRKQSQBELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-8(12)7-13-11(15)14-9-5-3-4-6-10(9)16-2/h3-6H,1,7H2,2H3,(H2,13,14,15).
What are the key properties of 1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea?
1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea has a molecular weight of 240.69 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 115640180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).