1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(1-ethylpiperidin-4-yl)urea

C16H23ClFN3O2 — CID 75435597

IUPAC1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(1-ethylpiperidin-4-yl)urea
SMILESCCN1CCC(NC(=O)NCC(O)c2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C16H23ClFN3O2/c1-2-21-7-5-12(6-8-21)20-16(23)19-10-15(22)11-3-4-13(17)14(18)9-11/h3-4,9,12,15,22H,2,5-8,10H2,1H3,(H2,19,20,23)
InChIKeyBFLOYAQRABRLAD-UHFFFAOYSA-N
MW343.83 g/mol
LogP2.30
Rot. Bonds5

About 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(1-ethylpiperidin-4-yl)urea

1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(1-ethylpiperidin-4-yl)urea (PubChem CID 75435597) has the molecular formula C16H23ClFN3O2 and a molecular weight of 343.83 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(1-ethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(1-ethylpiperidin-4-yl)urea
PubChem CID75435597
Molecular FormulaC16H23ClFN3O2
Molecular Weight343.83 g/mol
Exact Mass343.15
IUPAC Name1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(1-ethylpiperidin-4-yl)urea
SMILESCCN1CCC(NC(=O)NCC(O)c2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C16H23ClFN3O2/c1-2-21-7-5-12(6-8-21)20-16(23)19-10-15(22)11-3-4-13(17)14(18)9-11/h3-4,9,12,15,22H,2,5-8,10H2,1H3,(H2,19,20,23)
InChIKeyBFLOYAQRABRLAD-UHFFFAOYSA-N
XLogP2.30
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(1-ethylpiperidin-4-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-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(1-ethylpiperidin-4-yl)urea?
The IUPAC name of 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(1-ethylpiperidin-4-yl)urea (CID 75435597) is 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(1-ethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(1-ethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(1-ethylpiperidin-4-yl)urea is CCN1CCC(NC(=O)NCC(O)c2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(1-ethylpiperidin-4-yl)urea?
The InChIKey is BFLOYAQRABRLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN3O2/c1-2-21-7-5-12(6-8-21)20-16(23)19-10-15(22)11-3-4-13(17)14(18)9-11/h3-4,9,12,15,22H,2,5-8,10H2,1H3,(H2,19,20,23).
What are the key properties of 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(1-ethylpiperidin-4-yl)urea?
1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(1-ethylpiperidin-4-yl)urea has a molecular weight of 343.83 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(1-ethylpiperidin-4-yl)urea is sourced from PubChem (CID 75435597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).