N-(2,5-difluoro-4-methylphenyl)-1,3-dihydroisoindole-2-carboxamide

C16H14F2N2O — CID 167772232

IUPACN-(2,5-difluoro-4-methylphenyl)-1,3-dihydroisoindole-2-carboxamide
SMILESCc1cc(F)c(NC(=O)N2Cc3ccccc3C2)cc1F
InChIInChI=1S/C16H14F2N2O/c1-10-6-14(18)15(7-13(10)17)19-16(21)20-8-11-4-2-3-5-12(11)9-20/h2-7H,8-9H2,1H3,(H,19,21)
InChIKeyXUDRBDUUZLTKFN-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.82
Rot. Bonds1

About N-(2,5-difluoro-4-methylphenyl)-1,3-dihydroisoindole-2-carboxamide

N-(2,5-difluoro-4-methylphenyl)-1,3-dihydroisoindole-2-carboxamide (PubChem CID 167772232) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)-1,3-dihydroisoindole-2-carboxamide
PubChem CID167772232
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-(2,5-difluoro-4-methylphenyl)-1,3-dihydroisoindole-2-carboxamide
SMILESCc1cc(F)c(NC(=O)N2Cc3ccccc3C2)cc1F
InChIInChI=1S/C16H14F2N2O/c1-10-6-14(18)15(7-13(10)17)19-16(21)20-8-11-4-2-3-5-12(11)9-20/h2-7H,8-9H2,1H3,(H,19,21)
InChIKeyXUDRBDUUZLTKFN-UHFFFAOYSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)-1,3-dihydroisoindole-2-carboxamide (CID 167772232) is N-(2,5-difluoro-4-methylphenyl)-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)-1,3-dihydroisoindole-2-carboxamide is Cc1cc(F)c(NC(=O)N2Cc3ccccc3C2)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is XUDRBDUUZLTKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-10-6-14(18)15(7-13(10)17)19-16(21)20-8-11-4-2-3-5-12(11)9-20/h2-7H,8-9H2,1H3,(H,19,21).
What are the key properties of N-(2,5-difluoro-4-methylphenyl)-1,3-dihydroisoindole-2-carboxamide?
N-(2,5-difluoro-4-methylphenyl)-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 167772232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).