N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C21H22ClFN2O2 — CID 4882509

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C21H22ClFN2O2/c1-24(14-17-18(22)8-5-9-19(17)23)21(27)16-12-20(26)25(13-16)11-10-15-6-3-2-4-7-15/h2-9,16H,10-14H2,1H3
InChIKeyFVNCRIINDNEOEU-UHFFFAOYSA-N
MW388.87 g/mol
LogP3.53
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 4882509) has the molecular formula C21H22ClFN2O2 and a molecular weight of 388.87 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID4882509
Molecular FormulaC21H22ClFN2O2
Molecular Weight388.87 g/mol
Exact Mass388.14
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C21H22ClFN2O2/c1-24(14-17-18(22)8-5-9-19(17)23)21(27)16-12-20(26)25(13-16)11-10-15-6-3-2-4-7-15/h2-9,16H,10-14H2,1H3
InChIKeyFVNCRIINDNEOEU-UHFFFAOYSA-N
XLogP3.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxo-3-pyrrolidinecarboxamide
CID 2926616
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CID 4880709
(3S)-N-[(3-chloro-4-fluorophenyl)-(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 166899009
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4877450
2-(2-chlorobenzyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 3105239
N-(4-fluorobenzyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 3239601
N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4129974
(2-Chlorophenyl)methyl-[6-[8-[6-[(2-chlorophenyl)methyl-ethyl-methylazaniumyl]hexanoyl-methylamino]octyl-methylamino]-6-oxohexyl]-ethyl-methylazanium
CID 10909236
6-[(2-chlorophenyl)methyl-ethylamino]-N-[8-[6-[(2-chlorophenyl)methyl-ethylamino]hexanoyl-methylamino]octyl]-N-methylhexanamide
CID 11814517
N-(2-chlorobenzyl)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-3-piperidinecarboxamide
CID 24794213
(3R,5S)-5-(2-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565107
(3R,5S)-5-[4-(2-chlorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565209

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 4882509) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is FVNCRIINDNEOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O2/c1-24(14-17-18(22)8-5-9-19(17)23)21(27)16-12-20(26)25(13-16)11-10-15-6-3-2-4-7-15/h2-9,16H,10-14H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 388.87 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 4882509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).