2-[4-[1-(3-chlorophenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide

C21H25ClN2O2 — CID 123251215

IUPAC2-[4-[1-(3-chlorophenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)c1ccc(OC2CCN(c3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-3-23-21(25)15(2)16-7-9-19(10-8-16)26-20-11-12-24(14-20)18-6-4-5-17(22)13-18/h4-10,13,15,20H,3,11-12,14H2,1-2H3,(H,23,25)
InChIKeyNMPYWXGKSPVWML-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.24
Rot. Bonds6

About 2-[4-[1-(3-chlorophenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide

2-[4-[1-(3-chlorophenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide (PubChem CID 123251215) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-[4-[1-(3-chlorophenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[4-[1-(3-chlorophenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
PubChem CID123251215
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-[4-[1-(3-chlorophenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)c1ccc(OC2CCN(c3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-3-23-21(25)15(2)16-7-9-19(10-8-16)26-20-11-12-24(14-20)18-6-4-5-17(22)13-18/h4-10,13,15,20H,3,11-12,14H2,1-2H3,(H,23,25)
InChIKeyNMPYWXGKSPVWML-UHFFFAOYSA-N
XLogP4.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]oxyphenyl]hexan-3-one
CID 159075656
2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
CID 123697575
N-ethyl-2-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide
CID 123175633
2-[4-[1-(4-cyclobutyloxyphenyl)piperidin-4-yl]phenyl]-N-ethylpropanamide
CID 71576220
(4R)-4-[4-[1-[3-(difluoromethyl)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 158548981
(2R)-2-[3-(3-chlorophenoxy)azetidin-1-yl]-N-ethylpropanamide
CID 124851882
N-[1-[4-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123691720
N-[(1S)-1-[4-[1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473406
N-[1-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123377438
2-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]hexan-3-one
CID 147675125
2-[4-[1-[5-chloro-6-(2-hydroxy-2-methylpropoxy)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N-prop-2-ynylpropanamide
CID 123382122
2-[4-[1-[5-chloro-6-(2-hydroxypropoxy)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N-propan-2-ylpropanamide
CID 134372107

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-chlorophenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide?
The IUPAC name of 2-[4-[1-(3-chlorophenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide (CID 123251215) is 2-[4-[1-(3-chlorophenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide.
What is the SMILES notation for 2-[4-[1-(3-chlorophenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide?
The canonical SMILES for 2-[4-[1-(3-chlorophenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide is CCNC(=O)C(C)c1ccc(OC2CCN(c3cccc(Cl)c3)C2)cc1.
What is the InChIKey of 2-[4-[1-(3-chlorophenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide?
The InChIKey is NMPYWXGKSPVWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-3-23-21(25)15(2)16-7-9-19(10-8-16)26-20-11-12-24(14-20)18-6-4-5-17(22)13-18/h4-10,13,15,20H,3,11-12,14H2,1-2H3,(H,23,25).
What are the key properties of 2-[4-[1-(3-chlorophenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide?
2-[4-[1-(3-chlorophenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide has a molecular weight of 372.90 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-chlorophenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide is sourced from PubChem (CID 123251215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).