1-(4-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea

C19H23ClN4O — CID 22430376

IUPAC1-(4-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN4O/c20-16-6-8-17(9-7-16)22-19(25)21-10-11-23-12-14-24(15-13-23)18-4-2-1-3-5-18/h1-9H,10-15H2,(H2,21,22,25)
InChIKeyZYYRJIWBQPZGEN-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.28
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea

1-(4-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea (PubChem CID 22430376) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
PubChem CID22430376
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name1-(4-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN4O/c20-16-6-8-17(9-7-16)22-19(25)21-10-11-23-12-14-24(15-13-23)18-4-2-1-3-5-18/h1-9H,10-15H2,(H2,21,22,25)
InChIKeyZYYRJIWBQPZGEN-UHFFFAOYSA-N
XLogP3.28
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Domperidone
CID 3151
Monuron
CID 8800
5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
CID 104607
Monomethylmonuron
CID 79309
SR1848
CID 3238389
1-(4-Chlorophenyl)piperazine
CID 97478
4,4'-Dichlorocarbanilide
CID 94996
1-(3-Chlorophenyl)-3-cyclohexylurea
CID 751320
N-(4-chlorophenyl)morpholine-4-carboxamide
CID 759971
1-(4-Chlorophenyl)-3-cyclohexylurea
CID 238899
3-(3-Chlorophenyl)-1-ethyl-1-phenylurea
CID 294985
1-Pyrrolidinecarboxamide, N-(4-chlorophenyl)-
CID 118853

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea (CID 22430376) is 1-(4-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea is O=C(NCCN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea?
The InChIKey is ZYYRJIWBQPZGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c20-16-6-8-17(9-7-16)22-19(25)21-10-11-23-12-14-24(15-13-23)18-4-2-1-3-5-18/h1-9H,10-15H2,(H2,21,22,25).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea has a molecular weight of 358.87 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea is sourced from PubChem (CID 22430376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).