1-butan-2-yl-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

C15H18F2N2O2 — CID 113182268

IUPAC1-butan-2-yl-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)N1CC(C(=O)Nc2c(F)cccc2F)CC1=O
InChIInChI=1S/C15H18F2N2O2/c1-3-9(2)19-8-10(7-13(19)20)15(21)18-14-11(16)5-4-6-12(14)17/h4-6,9-10H,3,7-8H2,1-2H3,(H,18,21)
InChIKeyQIKVHAXAQWMKEC-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.55
Rot. Bonds4

About 1-butan-2-yl-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

1-butan-2-yl-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113182268) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-butan-2-yl-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113182268
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name1-butan-2-yl-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)N1CC(C(=O)Nc2c(F)cccc2F)CC1=O
InChIInChI=1S/C15H18F2N2O2/c1-3-9(2)19-8-10(7-13(19)20)15(21)18-14-11(16)5-4-6-12(14)17/h4-6,9-10H,3,7-8H2,1-2H3,(H,18,21)
InChIKeyQIKVHAXAQWMKEC-UHFFFAOYSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182188
1-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113182244
1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182236
1-butan-2-yl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182117
1-butan-2-yl-N-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182191
1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182204
1-butan-2-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113182232
1-butan-2-yl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950
1-butan-2-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 113182243
1-butan-2-yl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182112
(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365348
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9364904

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butan-2-yl-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 113182268) is 1-butan-2-yl-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butan-2-yl-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butan-2-yl-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is CCC(C)N1CC(C(=O)Nc2c(F)cccc2F)CC1=O.
What is the InChIKey of 1-butan-2-yl-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QIKVHAXAQWMKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-3-9(2)19-8-10(7-13(19)20)15(21)18-14-11(16)5-4-6-12(14)17/h4-6,9-10H,3,7-8H2,1-2H3,(H,18,21).
What are the key properties of 1-butan-2-yl-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-butan-2-yl-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113182268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).