N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide

C17H14F2N2O3 — CID 71936135

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide
SMILESCC(=O)N1CCc2cc(NC(=O)c3c(O)cc(F)cc3F)ccc21
InChIInChI=1S/C17H14F2N2O3/c1-9(22)21-5-4-10-6-12(2-3-14(10)21)20-17(24)16-13(19)7-11(18)8-15(16)23/h2-3,6-8,23H,4-5H2,1H3,(H,20,24)
InChIKeyKKIHKYIANGKKJW-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.83
Rot. Bonds2

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide (PubChem CID 71936135) has the molecular formula C17H14F2N2O3 and a molecular weight of 332.31 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide
PubChem CID71936135
Molecular FormulaC17H14F2N2O3
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide
SMILESCC(=O)N1CCc2cc(NC(=O)c3c(O)cc(F)cc3F)ccc21
InChIInChI=1S/C17H14F2N2O3/c1-9(22)21-5-4-10-6-12(2-3-14(10)21)20-17(24)16-13(19)7-11(18)8-15(16)23/h2-3,6-8,23H,4-5H2,1H3,(H,20,24)
InChIKeyKKIHKYIANGKKJW-UHFFFAOYSA-N
XLogP2.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-hydroxy-4-methylbenzamide
CID 35805071
N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 18205048
methyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate
CID 35187739
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 26706083
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-dimethylbenzamide
CID 42424076
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
N-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
CID 24624601
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 25360343
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
CID 115452391
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 51205594
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 39952143

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide (CID 71936135) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide is CC(=O)N1CCc2cc(NC(=O)c3c(O)cc(F)cc3F)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide?
The InChIKey is KKIHKYIANGKKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3/c1-9(22)21-5-4-10-6-12(2-3-14(10)21)20-17(24)16-13(19)7-11(18)8-15(16)23/h2-3,6-8,23H,4-5H2,1H3,(H,20,24).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide has a molecular weight of 332.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide is sourced from PubChem (CID 71936135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).