1-(4-chlorophenyl)-3-(7-oxo-2,4-diphenylazepan-1-yl)urea

C25H24ClN3O2 — CID 19037721

IUPAC1-(4-chlorophenyl)-3-(7-oxo-2,4-diphenylazepan-1-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NN1C(=O)CCC(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C25H24ClN3O2/c26-21-12-14-22(15-13-21)27-25(31)28-29-23(19-9-5-2-6-10-19)17-20(11-16-24(29)30)18-7-3-1-4-8-18/h1-10,12-15,20,23H,11,16-17H2,(H2,27,28,31)
InChIKeyXSKHQBHQBDKQCX-UHFFFAOYSA-N
MW433.94 g/mol
LogP5.91
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(7-oxo-2,4-diphenylazepan-1-yl)urea

1-(4-chlorophenyl)-3-(7-oxo-2,4-diphenylazepan-1-yl)urea (PubChem CID 19037721) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(7-oxo-2,4-diphenylazepan-1-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(7-oxo-2,4-diphenylazepan-1-yl)urea
PubChem CID19037721
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC Name1-(4-chlorophenyl)-3-(7-oxo-2,4-diphenylazepan-1-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NN1C(=O)CCC(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C25H24ClN3O2/c26-21-12-14-22(15-13-21)27-25(31)28-29-23(19-9-5-2-6-10-19)17-20(11-16-24(29)30)18-7-3-1-4-8-18/h1-10,12-15,20,23H,11,16-17H2,(H2,27,28,31)
InChIKeyXSKHQBHQBDKQCX-UHFFFAOYSA-N
XLogP5.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-3-(7-oxo-2,4-diphenylazepan-1-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(7-oxo-2,4-diphenylazepan-1-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(7-oxo-2,4-diphenylazepan-1-yl)urea (CID 19037721) is 1-(4-chlorophenyl)-3-(7-oxo-2,4-diphenylazepan-1-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(7-oxo-2,4-diphenylazepan-1-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(7-oxo-2,4-diphenylazepan-1-yl)urea is O=C(Nc1ccc(Cl)cc1)NN1C(=O)CCC(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(7-oxo-2,4-diphenylazepan-1-yl)urea?
The InChIKey is XSKHQBHQBDKQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c26-21-12-14-22(15-13-21)27-25(31)28-29-23(19-9-5-2-6-10-19)17-20(11-16-24(29)30)18-7-3-1-4-8-18/h1-10,12-15,20,23H,11,16-17H2,(H2,27,28,31).
What are the key properties of 1-(4-chlorophenyl)-3-(7-oxo-2,4-diphenylazepan-1-yl)urea?
1-(4-chlorophenyl)-3-(7-oxo-2,4-diphenylazepan-1-yl)urea has a molecular weight of 433.94 g/mol, XLogP of 5.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(7-oxo-2,4-diphenylazepan-1-yl)urea is sourced from PubChem (CID 19037721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).