3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide

C14H16F2N2O2 — CID 95274540

IUPAC3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide
SMILESCN1C[C@H](NC(=O)CCc2cc(F)ccc2F)CC1=O
InChIInChI=1S/C14H16F2N2O2/c1-18-8-11(7-14(18)20)17-13(19)5-2-9-6-10(15)3-4-12(9)16/h3-4,6,11H,2,5,7-8H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyXCALJOPXYLGHAG-LLVKDONJSA-N
MW282.29 g/mol
LogP1.24
Rot. Bonds4

About 3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide

3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide (PubChem CID 95274540) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide
PubChem CID95274540
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide
SMILESCN1C[C@H](NC(=O)CCc2cc(F)ccc2F)CC1=O
InChIInChI=1S/C14H16F2N2O2/c1-18-8-11(7-14(18)20)17-13(19)5-2-9-6-10(15)3-4-12(9)16/h3-4,6,11H,2,5,7-8H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyXCALJOPXYLGHAG-LLVKDONJSA-N
XLogP1.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminocyclopentyl)-3-(2,5-difluorophenyl)propanamide
CID 115272912
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide
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3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide
CID 130585425
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide
CID 126983919
2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
CID 110745992
5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one
CID 64656505
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide
CID 110736931
2-(4-ethylphenyl)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95723598
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110473177
2,4-difluoro-N-[3-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-3-oxopropyl]benzamide
CID 96506293
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
CID 56906685
3-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
CID 110736478

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide (CID 95274540) is 3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide is CN1C[C@H](NC(=O)CCc2cc(F)ccc2F)CC1=O.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide?
The InChIKey is XCALJOPXYLGHAG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-18-8-11(7-14(18)20)17-13(19)5-2-9-6-10(15)3-4-12(9)16/h3-4,6,11H,2,5,7-8H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide?
3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide has a molecular weight of 282.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 95274540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).