1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-3-(4-chlorophenyl)urea

C20H24Cl2N4O — CID 15989688

IUPAC1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-3-(4-chlorophenyl)urea
SMILESCc1ccc(Cl)cc1N1CCN(CCNC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H24Cl2N4O/c1-15-2-3-17(22)14-19(15)26-12-10-25(11-13-26)9-8-23-20(27)24-18-6-4-16(21)5-7-18/h2-7,14H,8-13H2,1H3,(H2,23,24,27)
InChIKeyPRVAUHQBSBMJCR-UHFFFAOYSA-N
MW407.35 g/mol
LogP4.25
Rot. Bonds5

About 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-3-(4-chlorophenyl)urea

1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-3-(4-chlorophenyl)urea (PubChem CID 15989688) has the molecular formula C20H24Cl2N4O and a molecular weight of 407.35 g/mol. Its IUPAC name is 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-3-(4-chlorophenyl)urea
PubChem CID15989688
Molecular FormulaC20H24Cl2N4O
Molecular Weight407.35 g/mol
Exact Mass406.13
IUPAC Name1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-3-(4-chlorophenyl)urea
SMILESCc1ccc(Cl)cc1N1CCN(CCNC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H24Cl2N4O/c1-15-2-3-17(22)14-19(15)26-12-10-25(11-13-26)9-8-23-20(27)24-18-6-4-16(21)5-7-18/h2-7,14H,8-13H2,1H3,(H2,23,24,27)
InChIKeyPRVAUHQBSBMJCR-UHFFFAOYSA-N
XLogP4.25
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-3-(4-chlorophenyl)urea (CID 15989688) is 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-3-(4-chlorophenyl)urea is Cc1ccc(Cl)cc1N1CCN(CCNC(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-3-(4-chlorophenyl)urea?
The InChIKey is PRVAUHQBSBMJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O/c1-15-2-3-17(22)14-19(15)26-12-10-25(11-13-26)9-8-23-20(27)24-18-6-4-16(21)5-7-18/h2-7,14H,8-13H2,1H3,(H2,23,24,27).
What are the key properties of 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-3-(4-chlorophenyl)urea?
1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-3-(4-chlorophenyl)urea has a molecular weight of 407.35 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 15989688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).