1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3-phenylurea

C19H23ClN4O — CID 1257314

IUPAC1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3-phenylurea
SMILESO=C(NCCN1CCN(c2ccccc2Cl)CC1)Nc1ccccc1
InChIInChI=1S/C19H23ClN4O/c20-17-8-4-5-9-18(17)24-14-12-23(13-15-24)11-10-21-19(25)22-16-6-2-1-3-7-16/h1-9H,10-15H2,(H2,21,22,25)
InChIKeyAERDPZORDCMELD-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.28
Rot. Bonds5

About 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3-phenylurea

1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3-phenylurea (PubChem CID 1257314) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3-phenylurea
PubChem CID1257314
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3-phenylurea
SMILESO=C(NCCN1CCN(c2ccccc2Cl)CC1)Nc1ccccc1
InChIInChI=1S/C19H23ClN4O/c20-17-8-4-5-9-18(17)24-14-12-23(13-15-24)11-10-21-19(25)22-16-6-2-1-3-7-16/h1-9H,10-15H2,(H2,21,22,25)
InChIKeyAERDPZORDCMELD-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

1-(2-Chlorophenyl)piperazine
CID 415628
SR1848
CID 3238389
1-(3-Chlorophenyl)-3-cyclohexylurea
CID 751320
1-(4-Chlorophenyl)-3-cyclohexylurea
CID 238899
1,3-Bis(2-chlorophenyl)urea
CID 236222
3-(3-Chlorophenyl)-1-ethyl-1-phenylurea
CID 294985
1-(2-Chlorophenylcarbamoyl)-2-methylpiperidine
CID 3136155
N-phenylpiperazine-1-carboxamide hydrochloride
CID 16265344
1-(2-Chlorophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 24768229
1-(2,5-Dichlorophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 24768231
1-(4-Chlorophenyl)-3-(2-piperidin-1-ylethyl)urea
CID 4189678
4-(4-chlorophenyl)-N-cyclohexylpiperazine-1-carboxamide
CID 4416918

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3-phenylurea?
The IUPAC name of 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3-phenylurea (CID 1257314) is 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3-phenylurea is O=C(NCCN1CCN(c2ccccc2Cl)CC1)Nc1ccccc1.
What is the InChIKey of 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3-phenylurea?
The InChIKey is AERDPZORDCMELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c20-17-8-4-5-9-18(17)24-14-12-23(13-15-24)11-10-21-19(25)22-16-6-2-1-3-7-16/h1-9H,10-15H2,(H2,21,22,25).
What are the key properties of 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3-phenylurea?
1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3-phenylurea 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-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3-phenylurea is sourced from PubChem (CID 1257314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).