1-(4-chloro-3-methoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

C20H23ClN2O2 — CID 71455424

IUPAC1-(4-chloro-3-methoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)c(OC)c2)c1
InChIInChI=1S/C20H23ClN2O2/c1-13(2)14-7-6-8-15(11-14)20(3,4)23-19(24)22-16-9-10-17(21)18(12-16)25-5/h6-12H,1H2,2-5H3,(H2,22,23,24)
InChIKeyFGTUYFYJHQBMPK-UHFFFAOYSA-N
MW358.87 g/mol
LogP5.44
Rot. Bonds5

About 1-(4-chloro-3-methoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

1-(4-chloro-3-methoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (PubChem CID 71455424) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
PubChem CID71455424
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name1-(4-chloro-3-methoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)c(OC)c2)c1
InChIInChI=1S/C20H23ClN2O2/c1-13(2)14-7-6-8-15(11-14)20(3,4)23-19(24)22-16-9-10-17(21)18(12-16)25-5/h6-12H,1H2,2-5H3,(H2,22,23,24)
InChIKeyFGTUYFYJHQBMPK-UHFFFAOYSA-N
XLogP5.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.87
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (CID 71455424) is 1-(4-chloro-3-methoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)c(OC)c2)c1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The InChIKey is FGTUYFYJHQBMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-13(2)14-7-6-8-15(11-14)20(3,4)23-19(24)22-16-9-10-17(21)18(12-16)25-5/h6-12H,1H2,2-5H3,(H2,22,23,24).
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
1-(4-chloro-3-methoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea has a molecular weight of 358.87 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 71455424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).