5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide

C10H11FN2O — CID 175773475

IUPAC5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide
SMILESCNC(=O)N1Cc2ccc(F)cc2C1
InChIInChI=1S/C10H11FN2O/c1-12-10(14)13-5-7-2-3-9(11)4-8(7)6-13/h2-4H,5-6H2,1H3,(H,12,14)
InChIKeyXYNXRVLQCVEJEZ-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.48
Rot. Bonds

About 5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide

5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide (PubChem CID 175773475) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide
PubChem CID175773475
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide
SMILESCNC(=O)N1Cc2ccc(F)cc2C1
InChIInChI=1S/C10H11FN2O/c1-12-10(14)13-5-7-2-3-9(11)4-8(7)6-13/h2-4H,5-6H2,1H3,(H,12,14)
InChIKeyXYNXRVLQCVEJEZ-UHFFFAOYSA-N
XLogP1.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of 5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide (CID 175773475) is 5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide is CNC(=O)N1Cc2ccc(F)cc2C1.
What is the InChIKey of 5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is XYNXRVLQCVEJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-12-10(14)13-5-7-2-3-9(11)4-8(7)6-13/h2-4H,5-6H2,1H3,(H,12,14).
What are the key properties of 5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide?
5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 194.21 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 175773475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).