3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea

C17H26ClN3O2 — CID 110896124

IUPAC3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCC(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C17H26ClN3O2/c1-2-20(10-11-22)17(23)19-13-16(21-8-3-4-9-21)14-6-5-7-15(18)12-14/h5-7,12,16,22H,2-4,8-11,13H2,1H3,(H,19,23)
InChIKeyNIKWTTIEVLXQLI-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.50
Rot. Bonds7

About 3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea

3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 110896124) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID110896124
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCC(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C17H26ClN3O2/c1-2-20(10-11-22)17(23)19-13-16(21-8-3-4-9-21)14-6-5-7-15(18)12-14/h5-7,12,16,22H,2-4,8-11,13H2,1H3,(H,19,23)
InChIKeyNIKWTTIEVLXQLI-UHFFFAOYSA-N
XLogP2.50
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea
CID 86943814
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 110933948
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 119849472
2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide
CID 60563659
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2,6-dimethoxybenzamide
CID 112506810
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3,4-dimethylbenzamide
CID 112506811
4-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-2-one
CID 82131677
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
CID 112506807
3-[2-(azepan-1-yl)-3-methylbutyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110895656
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506817
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 56514738

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea (CID 110896124) is 3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)NCC(c1cccc(Cl)c1)N1CCCC1.
What is the InChIKey of 3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is NIKWTTIEVLXQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-2-20(10-11-22)17(23)19-13-16(21-8-3-4-9-21)14-6-5-7-15(18)12-14/h5-7,12,16,22H,2-4,8-11,13H2,1H3,(H,19,23).
What are the key properties of 3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea?
3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 339.87 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110896124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).