1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea

C15H23ClN4O2 — CID 110894304

IUPAC1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea
SMILESCCN1CCN(c2ccc(Cl)cc2NC(=O)NCCO)CC1
InChIInChI=1S/C15H23ClN4O2/c1-2-19-6-8-20(9-7-19)14-4-3-12(16)11-13(14)18-15(22)17-5-10-21/h3-4,11,21H,2,5-10H2,1H3,(H2,17,18,22)
InChIKeyAUHUHDJEJNJPKS-UHFFFAOYSA-N
MW326.83 g/mol
LogP1.60
Rot. Bonds5

About 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea

1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea (PubChem CID 110894304) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea
PubChem CID110894304
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC Name1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea
SMILESCCN1CCN(c2ccc(Cl)cc2NC(=O)NCCO)CC1
InChIInChI=1S/C15H23ClN4O2/c1-2-19-6-8-20(9-7-19)14-4-3-12(16)11-13(14)18-15(22)17-5-10-21/h3-4,11,21H,2,5-10H2,1H3,(H2,17,18,22)
InChIKeyAUHUHDJEJNJPKS-UHFFFAOYSA-N
XLogP1.60
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea
CID 47103290
1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55669090
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-ylacetamide
CID 7535492
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 7491964
methyl 3-[[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 52636806
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide
CID 55757427
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535040
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 17451721
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide
CID 55359272
2-bromo-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-methoxybenzamide
CID 30862093
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 7491974

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea (CID 110894304) is 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea is CCN1CCN(c2ccc(Cl)cc2NC(=O)NCCO)CC1.
What is the InChIKey of 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea?
The InChIKey is AUHUHDJEJNJPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O2/c1-2-19-6-8-20(9-7-19)14-4-3-12(16)11-13(14)18-15(22)17-5-10-21/h3-4,11,21H,2,5-10H2,1H3,(H2,17,18,22).
What are the key properties of 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea?
1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea has a molecular weight of 326.83 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 110894304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).