3-(5-chloro-2-methoxyphenyl)-1,1-bis(prop-2-enyl)urea

C14H17ClN2O2 — CID 2211464

IUPAC3-(5-chloro-2-methoxyphenyl)-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C14H17ClN2O2/c1-4-8-17(9-5-2)14(18)16-12-10-11(15)6-7-13(12)19-3/h4-7,10H,1-2,8-9H2,3H3,(H,16,18)
InChIKeyQXQBRWCYDXMAHL-UHFFFAOYSA-N
MW280.76 g/mol
LogP3.55
Rot. Bonds6

About 3-(5-chloro-2-methoxyphenyl)-1,1-bis(prop-2-enyl)urea

3-(5-chloro-2-methoxyphenyl)-1,1-bis(prop-2-enyl)urea (PubChem CID 2211464) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-1,1-bis(prop-2-enyl)urea.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-1,1-bis(prop-2-enyl)urea
PubChem CID2211464
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name3-(5-chloro-2-methoxyphenyl)-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C14H17ClN2O2/c1-4-8-17(9-5-2)14(18)16-12-10-11(15)6-7-13(12)19-3/h4-7,10H,1-2,8-9H2,3H3,(H,16,18)
InChIKeyQXQBRWCYDXMAHL-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1,1-bis(prop-2-enyl)urea?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1,1-bis(prop-2-enyl)urea (CID 2211464) is 3-(5-chloro-2-methoxyphenyl)-1,1-bis(prop-2-enyl)urea.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-1,1-bis(prop-2-enyl)urea?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-1,1-bis(prop-2-enyl)urea is C=CCN(CC=C)C(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-1,1-bis(prop-2-enyl)urea?
The InChIKey is QXQBRWCYDXMAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-4-8-17(9-5-2)14(18)16-12-10-11(15)6-7-13(12)19-3/h4-7,10H,1-2,8-9H2,3H3,(H,16,18).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-1,1-bis(prop-2-enyl)urea?
3-(5-chloro-2-methoxyphenyl)-1,1-bis(prop-2-enyl)urea has a molecular weight of 280.76 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-1,1-bis(prop-2-enyl)urea is sourced from PubChem (CID 2211464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).