(3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone

C15H19Cl2NO2 — CID 66687178

IUPAC(3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone
SMILESCCC[C@]1(C(=O)c2ccc(Cl)c(Cl)c2)CC(OC)CN1
InChIInChI=1S/C15H19Cl2NO2/c1-3-6-15(8-11(20-2)9-18-15)14(19)10-4-5-12(16)13(17)7-10/h4-5,7,11,18H,3,6,8-9H2,1-2H3/t11?,15-/m1/s1
InChIKeyCLWWXQUPXPXANA-JOPIAHFSSA-N
MW316.23 g/mol
LogP3.72
Rot. Bonds5

About (3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone

(3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone (PubChem CID 66687178) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone
PubChem CID66687178
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name(3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone
SMILESCCC[C@]1(C(=O)c2ccc(Cl)c(Cl)c2)CC(OC)CN1
InChIInChI=1S/C15H19Cl2NO2/c1-3-6-15(8-11(20-2)9-18-15)14(19)10-4-5-12(16)13(17)7-10/h4-5,7,11,18H,3,6,8-9H2,1-2H3/t11?,15-/m1/s1
InChIKeyCLWWXQUPXPXANA-JOPIAHFSSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-[(4R)-4-fluoro-2-propylpyrrolidin-2-yl]methanone
CID 58017268
(3,4-dichlorophenyl)-[(5S)-3-propyl-8-azabicyclo[3.2.1]octan-3-yl]methanone
CID 71095335
(2R,4R)-2-(3,4-dichlorobenzoyl)-4-hydroxy-2-propylpyrrolidine-1-carboxylic acid
CID 154133017
(3,4-dichlorophenyl)-[(1R,2S,5R)-2-propyl-8-azabicyclo[3.2.1]octan-2-yl]methanone
CID 66687512
(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744722
bis((3,4-dichlorophenyl)-[(3S)-3-propylpyrrolidin-3-yl]methanone);methane;hydrochloride;hydroiodide
CID 169427811
2-(3,4-dichlorobenzoyl)-1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
CID 142723038
(3,4-dichlorophenyl)-(1-ethoxycycloheptyl)methanone
CID 116750698
[(1R,2S,5S)-2-butyl-8-azabicyclo[3.2.1]octan-2-yl]-(3,4-dichlorophenyl)methanone
CID 59744917
(3,4-dichlorophenyl)-[4-(2-methoxy-2-methylpropyl)piperidin-4-yl]methanone
CID 44548083
1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol
CID 106823902
heptyl 3,4-dichlorobenzoate
CID 122397829

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone (CID 66687178) is (3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone is CCC[C@]1(C(=O)c2ccc(Cl)c(Cl)c2)CC(OC)CN1.
What is the InChIKey of (3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone?
The InChIKey is CLWWXQUPXPXANA-JOPIAHFSSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-3-6-15(8-11(20-2)9-18-15)14(19)10-4-5-12(16)13(17)7-10/h4-5,7,11,18H,3,6,8-9H2,1-2H3/t11?,15-/m1/s1.
What are the key properties of (3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone?
(3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone has a molecular weight of 316.23 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 66687178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).