1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea

C17H19ClN2O — CID 86237214

IUPAC1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea
SMILESCCN(CC)C(=O)N(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-3-19(4-2)17(21)20(15-8-6-5-7-9-15)16-12-10-14(18)11-13-16/h5-13H,3-4H2,1-2H3
InChIKeyKZQAWJNRULKDHX-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.94
Rot. Bonds4

About 1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea

1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea (PubChem CID 86237214) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea
PubChem CID86237214
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea
SMILESCCN(CC)C(=O)N(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-3-19(4-2)17(21)20(15-8-6-5-7-9-15)16-12-10-14(18)11-13-16/h5-13H,3-4H2,1-2H3
InChIKeyKZQAWJNRULKDHX-UHFFFAOYSA-N
XLogP4.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea?
The IUPAC name of 1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea (CID 86237214) is 1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea.
What is the SMILES notation for 1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea?
The canonical SMILES for 1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea is CCN(CC)C(=O)N(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea?
The InChIKey is KZQAWJNRULKDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-19(4-2)17(21)20(15-8-6-5-7-9-15)16-12-10-14(18)11-13-16/h5-13H,3-4H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea?
1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea has a molecular weight of 302.81 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea is sourced from PubChem (CID 86237214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).