4-(1,3-dihydroisoindol-2-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbutanamide

C22H24FN3O — CID 91784110

IUPAC4-(1,3-dihydroisoindol-2-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbutanamide
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)CCCN1Cc2ccccc2C1
InChIInChI=1S/C22H24FN3O/c1-25(15-20-12-18-11-19(23)8-9-21(18)24-20)22(27)7-4-10-26-13-16-5-2-3-6-17(16)14-26/h2-3,5-6,8-9,11-12,24H,4,7,10,13-15H2,1H3
InChIKeyIWDNRGUFUPNHIT-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.06
Rot. Bonds6

About 4-(1,3-dihydroisoindol-2-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbutanamide

4-(1,3-dihydroisoindol-2-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbutanamide (PubChem CID 91784110) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbutanamide
PubChem CID91784110
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbutanamide
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)CCCN1Cc2ccccc2C1
InChIInChI=1S/C22H24FN3O/c1-25(15-20-12-18-11-19(23)8-9-21(18)24-20)22(27)7-4-10-26-13-16-5-2-3-6-17(16)14-26/h2-3,5-6,8-9,11-12,24H,4,7,10,13-15H2,1H3
InChIKeyIWDNRGUFUPNHIT-UHFFFAOYSA-N
XLogP4.06
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbutanamide?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbutanamide (CID 91784110) is 4-(1,3-dihydroisoindol-2-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbutanamide.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbutanamide?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbutanamide is CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)CCCN1Cc2ccccc2C1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbutanamide?
The InChIKey is IWDNRGUFUPNHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-25(15-20-12-18-11-19(23)8-9-21(18)24-20)22(27)7-4-10-26-13-16-5-2-3-6-17(16)14-26/h2-3,5-6,8-9,11-12,24H,4,7,10,13-15H2,1H3.
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbutanamide?
4-(1,3-dihydroisoindol-2-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbutanamide has a molecular weight of 365.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbutanamide is sourced from PubChem (CID 91784110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).