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

C23H23ClN2O2 — CID 10927348

IUPAC1-[1-(4-chlorophenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea
SMILESCC(Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O2/c1-17(16-18-8-10-19(24)11-9-18)26(2)23(27)25-20-12-14-22(15-13-20)28-21-6-4-3-5-7-21/h3-15,17H,16H2,1-2H3,(H,25,27)
InChIKeyZVEBHLSZMHLUQS-UHFFFAOYSA-N
MW394.90 g/mol
LogP6.23
Rot. Bonds6

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

1-[1-(4-chlorophenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea (PubChem CID 10927348) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea
PubChem CID10927348
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC Name1-[1-(4-chlorophenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea
SMILESCC(Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O2/c1-17(16-18-8-10-19(24)11-9-18)26(2)23(27)25-20-12-14-22(15-13-20)28-21-6-4-3-5-7-21/h3-15,17H,16H2,1-2H3,(H,25,27)
InChIKeyZVEBHLSZMHLUQS-UHFFFAOYSA-N
XLogP6.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.90
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea?
The IUPAC name of 1-[1-(4-chlorophenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea (CID 10927348) is 1-[1-(4-chlorophenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea is CC(Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea?
The InChIKey is ZVEBHLSZMHLUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-17(16-18-8-10-19(24)11-9-18)26(2)23(27)25-20-12-14-22(15-13-20)28-21-6-4-3-5-7-21/h3-15,17H,16H2,1-2H3,(H,25,27).
What are the key properties of 1-[1-(4-chlorophenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea?
1-[1-(4-chlorophenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea has a molecular weight of 394.90 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 10927348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).