1-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea

C17H19ClN2O — CID 11709249

IUPAC1-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea
SMILESCC(C)(NC(=O)NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-17(2,14-9-4-3-5-10-14)20-16(21)19-12-13-8-6-7-11-15(13)18/h3-11H,12H2,1-2H3,(H2,19,20,21)
InChIKeyVYNOULHXXDFBLU-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.07
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea

1-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea (PubChem CID 11709249) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea
PubChem CID11709249
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea
SMILESCC(C)(NC(=O)NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-17(2,14-9-4-3-5-10-14)20-16(21)19-12-13-8-6-7-11-15(13)18/h3-11H,12H2,1-2H3,(H2,19,20,21)
InChIKeyVYNOULHXXDFBLU-UHFFFAOYSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea (CID 11709249) is 1-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea is CC(C)(NC(=O)NCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea?
The InChIKey is VYNOULHXXDFBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-17(2,14-9-4-3-5-10-14)20-16(21)19-12-13-8-6-7-11-15(13)18/h3-11H,12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea?
1-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea has a molecular weight of 302.81 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea is sourced from PubChem (CID 11709249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).