1-[1-(3-acetylphenyl)ethyl]-3-(4-chlorophenyl)urea

C17H17ClN2O2 — CID 70850942

IUPAC1-[1-(3-acetylphenyl)ethyl]-3-(4-chlorophenyl)urea
SMILESCC(=O)c1cccc(C(C)NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2/c1-11(13-4-3-5-14(10-13)12(2)21)19-17(22)20-16-8-6-15(18)7-9-16/h3-11H,1-2H3,(H2,19,20,22)
InChIKeyBCAYZHCYPSFDPK-UHFFFAOYSA-N
MW316.79 g/mol
LogP4.43
Rot. Bonds4

About 1-[1-(3-acetylphenyl)ethyl]-3-(4-chlorophenyl)urea

1-[1-(3-acetylphenyl)ethyl]-3-(4-chlorophenyl)urea (PubChem CID 70850942) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-[1-(3-acetylphenyl)ethyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[1-(3-acetylphenyl)ethyl]-3-(4-chlorophenyl)urea
PubChem CID70850942
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name1-[1-(3-acetylphenyl)ethyl]-3-(4-chlorophenyl)urea
SMILESCC(=O)c1cccc(C(C)NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2/c1-11(13-4-3-5-14(10-13)12(2)21)19-17(22)20-16-8-6-15(18)7-9-16/h3-11H,1-2H3,(H2,19,20,22)
InChIKeyBCAYZHCYPSFDPK-UHFFFAOYSA-N
XLogP4.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-acetylphenyl)ethyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[1-(3-acetylphenyl)ethyl]-3-(4-chlorophenyl)urea (CID 70850942) is 1-[1-(3-acetylphenyl)ethyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[1-(3-acetylphenyl)ethyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[1-(3-acetylphenyl)ethyl]-3-(4-chlorophenyl)urea is CC(=O)c1cccc(C(C)NC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[1-(3-acetylphenyl)ethyl]-3-(4-chlorophenyl)urea?
The InChIKey is BCAYZHCYPSFDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11(13-4-3-5-14(10-13)12(2)21)19-17(22)20-16-8-6-15(18)7-9-16/h3-11H,1-2H3,(H2,19,20,22).
What are the key properties of 1-[1-(3-acetylphenyl)ethyl]-3-(4-chlorophenyl)urea?
1-[1-(3-acetylphenyl)ethyl]-3-(4-chlorophenyl)urea has a molecular weight of 316.79 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-acetylphenyl)ethyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 70850942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).