2-ethyl-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide

C18H17FN2O2 — CID 46261895

IUPAC2-ethyl-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCCN1Cc2cccc(C(=O)Nc3ccc(C)c(F)c3)c2C1=O
InChIInChI=1S/C18H17FN2O2/c1-3-21-10-12-5-4-6-14(16(12)18(21)23)17(22)20-13-8-7-11(2)15(19)9-13/h4-9H,3,10H2,1-2H3,(H,20,22)
InChIKeyXXDPWSIGYDKSOM-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.36
Rot. Bonds3

About 2-ethyl-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide

2-ethyl-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 46261895) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-ethyl-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID46261895
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name2-ethyl-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCCN1Cc2cccc(C(=O)Nc3ccc(C)c(F)c3)c2C1=O
InChIInChI=1S/C18H17FN2O2/c1-3-21-10-12-5-4-6-14(16(12)18(21)23)17(22)20-13-8-7-11(2)15(19)9-13/h4-9H,3,10H2,1-2H3,(H,20,22)
InChIKeyXXDPWSIGYDKSOM-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46261885
N-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 3238535
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
N-(2,5-difluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide
CID 46253865
N-(3-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide
CID 46253619
N-butyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide
CID 20855915
1-ethyl-N-(3-fluoro-4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619936
N-(3-fluoro-4-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7422797
N-(1,3-benzodioxol-5-yl)-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide
CID 3239696
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-butyl-3-oxo-1H-isoindole-4-carboxamide
CID 71677752
N-(3-fluoro-4-methylphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696188

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-ethyl-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide (CID 46261895) is 2-ethyl-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-ethyl-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide is CCN1Cc2cccc(C(=O)Nc3ccc(C)c(F)c3)c2C1=O.
What is the InChIKey of 2-ethyl-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is XXDPWSIGYDKSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-3-21-10-12-5-4-6-14(16(12)18(21)23)17(22)20-13-8-7-11(2)15(19)9-13/h4-9H,3,10H2,1-2H3,(H,20,22).
What are the key properties of 2-ethyl-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
2-ethyl-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 46261895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).