N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C16H18ClFN2O3 — CID 75441925

IUPACN-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NC2CCOC2c2ccc(Cl)c(F)c2)CC1=O
InChIInChI=1S/C16H18ClFN2O3/c1-20-8-10(7-14(20)21)16(22)19-13-4-5-23-15(13)9-2-3-11(17)12(18)6-9/h2-3,6,10,13,15H,4-5,7-8H2,1H3,(H,19,22)
InChIKeyKMHCNQXQBVXEGW-UHFFFAOYSA-N
MW340.78 g/mol
LogP1.90
Rot. Bonds3

About N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide

N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 75441925) has the molecular formula C16H18ClFN2O3 and a molecular weight of 340.78 g/mol. Its IUPAC name is N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID75441925
Molecular FormulaC16H18ClFN2O3
Molecular Weight340.78 g/mol
Exact Mass340.10
IUPAC NameN-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NC2CCOC2c2ccc(Cl)c(F)c2)CC1=O
InChIInChI=1S/C16H18ClFN2O3/c1-20-8-10(7-14(20)21)16(22)19-13-4-5-23-15(13)9-2-3-11(17)12(18)6-9/h2-3,6,10,13,15H,4-5,7-8H2,1H3,(H,19,22)
InChIKeyKMHCNQXQBVXEGW-UHFFFAOYSA-N
XLogP1.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.78
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-{[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}pyrrolidin-2-one monohydrochloride
CID 66976296
N-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]acetamide;hydrochloride
CID 66975290
N-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 66976631
N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-2-(dimethylamino)butanamide
CID 75441957
(3S)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 96406951
1-[2-(4-chlorophenyl)ethyl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-phenylmethoxypyrrolidin-2-yl]propan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 57881138
N-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]-2-fluoro-2-methylpropanamide
CID 66975133
N-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]acetamide
CID 66975291
N-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]-2-methoxy-N-methylacetamide
CID 66975576
N-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 66975886
N-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 66975926
N-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]butanamide
CID 66976009

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 75441925) is N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NC2CCOC2c2ccc(Cl)c(F)c2)CC1=O.
What is the InChIKey of N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KMHCNQXQBVXEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O3/c1-20-8-10(7-14(20)21)16(22)19-13-4-5-23-15(13)9-2-3-11(17)12(18)6-9/h2-3,6,10,13,15H,4-5,7-8H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 340.78 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 75441925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).