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

C17H23ClFN3O — CID 119849434

IUPACN-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC(c1c(F)cccc1Cl)N1CCCC1)C1CCCN1
InChIInChI=1S/C17H23ClFN3O/c18-12-5-3-6-13(19)16(12)15(22-9-1-2-10-22)11-21-17(23)14-7-4-8-20-14/h3,5-6,14-15,20H,1-2,4,7-11H2,(H,21,23)
InChIKeyKSJFJXXQIAVUEL-UHFFFAOYSA-N
MW339.84 g/mol
LogP2.48
Rot. Bonds5

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

N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide (PubChem CID 119849434) has the molecular formula C17H23ClFN3O and a molecular weight of 339.84 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide
PubChem CID119849434
Molecular FormulaC17H23ClFN3O
Molecular Weight339.84 g/mol
Exact Mass339.15
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC(c1c(F)cccc1Cl)N1CCCC1)C1CCCN1
InChIInChI=1S/C17H23ClFN3O/c18-12-5-3-6-13(19)16(12)15(22-9-1-2-10-22)11-21-17(23)14-7-4-8-20-14/h3,5-6,14-15,20H,1-2,4,7-11H2,(H,21,23)
InChIKeyKSJFJXXQIAVUEL-UHFFFAOYSA-N
XLogP2.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-cyclopropylpropanamide
CID 110623996
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
CID 112506848
(2R)-N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 125118275
(2R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-cyclopropylpyrrolidine-2-carboxamide
CID 99799120
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide;dihydrochloride
CID 119849605
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-fluorobenzamide
CID 112506853
N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 39103122
(2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 124591683
(3R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124726723
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]cyclopentanesulfonamide
CID 110304294
N-[2-(2-fluorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335715
N-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 110887592

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide (CID 119849434) is N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide is O=C(NCC(c1c(F)cccc1Cl)N1CCCC1)C1CCCN1.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide?
The InChIKey is KSJFJXXQIAVUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFN3O/c18-12-5-3-6-13(19)16(12)15(22-9-1-2-10-22)11-21-17(23)14-7-4-8-20-14/h3,5-6,14-15,20H,1-2,4,7-11H2,(H,21,23).
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide?
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide has a molecular weight of 339.84 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 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]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119849434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).