N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide

C17H25ClN2O2 — CID 110931258

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
SMILESCC1CCC(C)N1C(C)C(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O2/c1-11-4-5-12(2)20(11)13(3)17(22)19-10-16(21)14-6-8-15(18)9-7-14/h6-9,11-13,16,21H,4-5,10H2,1-3H3,(H,19,22)
InChIKeyGXRZBYHVJUMSKG-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.75
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide (PubChem CID 110931258) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
PubChem CID110931258
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
SMILESCC1CCC(C)N1C(C)C(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O2/c1-11-4-5-12(2)20(11)13(3)17(22)19-10-16(21)14-6-8-15(18)9-7-14/h6-9,11-13,16,21H,4-5,10H2,1-3H3,(H,19,22)
InChIKeyGXRZBYHVJUMSKG-UHFFFAOYSA-N
XLogP2.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(dimethylamino)-3-methylbutanamide
CID 111107154
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 72844263
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide
CID 110885456
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]propanamide
CID 112818214
tert-butyl N-[(2S)-1-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]carbamate
CID 95568784
2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide
CID 75423099
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea
CID 110893643
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide
CID 110931236
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea
CID 14458365
N-[(4-aminophenyl)methyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 116649928
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide (CID 110931258) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide is CC1CCC(C)N1C(C)C(=O)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
The InChIKey is GXRZBYHVJUMSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-11-4-5-12(2)20(11)13(3)17(22)19-10-16(21)14-6-8-15(18)9-7-14/h6-9,11-13,16,21H,4-5,10H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide has a molecular weight of 324.85 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 110931258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).