2,2-difluoro-N-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-5-yl]methyl]propanamide

C19H21F2N3O2 — CID 139457186

IUPAC2,2-difluoro-N-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-5-yl]methyl]propanamide
SMILESC=C1CCC(N2Cc3cc(CNC(=O)C(C)(F)F)ccc3C2=C)C(=O)N1
InChIInChI=1S/C19H21F2N3O2/c1-11-4-7-16(17(25)23-11)24-10-14-8-13(5-6-15(14)12(24)2)9-22-18(26)19(3,20)21/h5-6,8,16H,1-2,4,7,9-10H2,3H3,(H,22,26)(H,23,25)
InChIKeyJGLSMTQNNQRWLM-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.54
Rot. Bonds4

About 2,2-difluoro-N-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-5-yl]methyl]propanamide

2,2-difluoro-N-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-5-yl]methyl]propanamide (PubChem CID 139457186) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 2,2-difluoro-N-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-5-yl]methyl]propanamide
PubChem CID139457186
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name2,2-difluoro-N-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-5-yl]methyl]propanamide
SMILESC=C1CCC(N2Cc3cc(CNC(=O)C(C)(F)F)ccc3C2=C)C(=O)N1
InChIInChI=1S/C19H21F2N3O2/c1-11-4-7-16(17(25)23-11)24-10-14-8-13(5-6-15(14)12(24)2)9-22-18(26)19(3,20)21/h5-6,8,16H,1-2,4,7,9-10H2,3H3,(H,22,26)(H,23,25)
InChIKeyJGLSMTQNNQRWLM-UHFFFAOYSA-N
XLogP2.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenyl)-2,2-difluoro-N-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]acetamide
CID 118653799
5-[[[3,3-difluoro-3-[2-(trifluoromethyl)phenyl]prop-1-en-2-yl]amino]methyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 139457177
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-methyl-2-phenylpropanamide
CID 162670524
2-(3,4-dimethylphenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoroacetamide
CID 157475579
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(4-methylsulfanylphenyl)acetamide
CID 170312895
N-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(4-methylsulfonylphenyl)acetamide
CID 175954644
1-tert-butyl-3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea
CID 44538828
N-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(2-hydroxyphenyl)acetamide
CID 175954660
N-[[2-(2,7-dioxoazepan-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide
CID 135326069
5-(6-amino-5-fluoro-5-methylhexyl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 174200992
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-[4-(4-fluorophenyl)phenyl]acetamide
CID 118646938
N-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(5-methyl-2-pyridinyl)acetamide
CID 175954652

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-5-yl]methyl]propanamide?
The IUPAC name of 2,2-difluoro-N-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-5-yl]methyl]propanamide (CID 139457186) is 2,2-difluoro-N-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-5-yl]methyl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-5-yl]methyl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-5-yl]methyl]propanamide is C=C1CCC(N2Cc3cc(CNC(=O)C(C)(F)F)ccc3C2=C)C(=O)N1.
What is the InChIKey of 2,2-difluoro-N-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-5-yl]methyl]propanamide?
The InChIKey is JGLSMTQNNQRWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-11-4-7-16(17(25)23-11)24-10-14-8-13(5-6-15(14)12(24)2)9-22-18(26)19(3,20)21/h5-6,8,16H,1-2,4,7,9-10H2,3H3,(H,22,26)(H,23,25).
What are the key properties of 2,2-difluoro-N-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-5-yl]methyl]propanamide?
2,2-difluoro-N-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-5-yl]methyl]propanamide has a molecular weight of 361.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-5-yl]methyl]propanamide is sourced from PubChem (CID 139457186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).