N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide

C17H22ClFN2O2 — CID 112506848

IUPACN-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
SMILESO=C(NCC(c1c(F)cccc1Cl)N1CCCC1)C1CCCO1
InChIInChI=1S/C17H22ClFN2O2/c18-12-5-3-6-13(19)16(12)14(21-8-1-2-9-21)11-20-17(22)15-7-4-10-23-15/h3,5-6,14-15H,1-2,4,7-11H2,(H,20,22)
InChIKeyOLKPBVFWKDMSRE-UHFFFAOYSA-N
MW340.83 g/mol
LogP2.91
Rot. Bonds5

About N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide

N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide (PubChem CID 112506848) has the molecular formula C17H22ClFN2O2 and a molecular weight of 340.83 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
PubChem CID112506848
Molecular FormulaC17H22ClFN2O2
Molecular Weight340.83 g/mol
Exact Mass340.14
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
SMILESO=C(NCC(c1c(F)cccc1Cl)N1CCCC1)C1CCCO1
InChIInChI=1S/C17H22ClFN2O2/c18-12-5-3-6-13(19)16(12)14(21-8-1-2-9-21)11-20-17(22)15-7-4-10-23-15/h3,5-6,14-15H,1-2,4,7-11H2,(H,20,22)
InChIKeyOLKPBVFWKDMSRE-UHFFFAOYSA-N
XLogP2.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
CID 112506807
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide
CID 119849434
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
CID 112503792
(2R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-cyclopropylpyrrolidine-2-carboxamide
CID 99799120
N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 112504693
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-cyclopropylpropanamide
CID 110623996
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 112504779
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-fluorobenzamide
CID 112506853
(3R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124726723
trans-(1S,3S)-3-amino-N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]cyclopentane-1-carboxamide
CID 125119917
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]acetamide
CID 51080950
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
CID 112504090

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide (CID 112506848) is N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide is O=C(NCC(c1c(F)cccc1Cl)N1CCCC1)C1CCCO1.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide?
The InChIKey is OLKPBVFWKDMSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O2/c18-12-5-3-6-13(19)16(12)14(21-8-1-2-9-21)11-20-17(22)15-7-4-10-23-15/h3,5-6,14-15H,1-2,4,7-11H2,(H,20,22).
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide?
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide has a molecular weight of 340.83 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide is sourced from PubChem (CID 112506848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).