1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propan-2-yl]urea

C17H19ClN2O2 — CID 162664348

IUPAC1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propan-2-yl]urea
SMILESCOc1ccc(CC(C)NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-12(11-13-3-9-16(22-2)10-4-13)19-17(21)20-15-7-5-14(18)6-8-15/h3-10,12H,11H2,1-2H3,(H2,19,20,21)
InChIKeyZTZKWESXBQCEDY-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.10
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propan-2-yl]urea

1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propan-2-yl]urea (PubChem CID 162664348) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propan-2-yl]urea
PubChem CID162664348
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propan-2-yl]urea
SMILESCOc1ccc(CC(C)NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-12(11-13-3-9-16(22-2)10-4-13)19-17(21)20-15-7-5-14(18)6-8-15/h3-10,12H,11H2,1-2H3,(H2,19,20,21)
InChIKeyZTZKWESXBQCEDY-UHFFFAOYSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propan-2-yl]urea (CID 162664348) is 1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propan-2-yl]urea is COc1ccc(CC(C)NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propan-2-yl]urea?
The InChIKey is ZTZKWESXBQCEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12(11-13-3-9-16(22-2)10-4-13)19-17(21)20-15-7-5-14(18)6-8-15/h3-10,12H,11H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propan-2-yl]urea?
1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propan-2-yl]urea has a molecular weight of 318.80 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 162664348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).