N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide

C19H17F2N3O4 — CID 24511409

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CNc3ccc4c(c3)OC(F)(F)O4)ccc21
InChIInChI=1S/C19H17F2N3O4/c1-11(25)24-7-6-12-8-14(2-4-15(12)24)23-18(26)10-22-13-3-5-16-17(9-13)28-19(20,21)27-16/h2-5,8-9,22H,6-7,10H2,1H3,(H,23,26)
InChIKeyCLPHMMYSQYDJIL-UHFFFAOYSA-N
MW389.36 g/mol
LogP2.97
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide (PubChem CID 24511409) has the molecular formula C19H17F2N3O4 and a molecular weight of 389.36 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
PubChem CID24511409
Molecular FormulaC19H17F2N3O4
Molecular Weight389.36 g/mol
Exact Mass389.12
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CNc3ccc4c(c3)OC(F)(F)O4)ccc21
InChIInChI=1S/C19H17F2N3O4/c1-11(25)24-7-6-12-8-14(2-4-15(12)24)23-18(26)10-22-13-3-5-16-17(9-13)28-19(20,21)27-16/h2-5,8-9,22H,6-7,10H2,1H3,(H,23,26)
InChIKeyCLPHMMYSQYDJIL-UHFFFAOYSA-N
XLogP2.97
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide
CID 30706791
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119690426
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide
CID 24510831
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
CID 29288915
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide
CID 25380755
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
CID 103606736
N-(3-chloro-4-methoxyphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
CID 18096944
1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 107234999
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 17493832
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 24690664

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide (CID 24511409) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide is CC(=O)N1CCc2cc(NC(=O)CNc3ccc4c(c3)OC(F)(F)O4)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide?
The InChIKey is CLPHMMYSQYDJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O4/c1-11(25)24-7-6-12-8-14(2-4-15(12)24)23-18(26)10-22-13-3-5-16-17(9-13)28-19(20,21)27-16/h2-5,8-9,22H,6-7,10H2,1H3,(H,23,26).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide has a molecular weight of 389.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide is sourced from PubChem (CID 24511409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).