N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide

C18H16F2N2O2 — CID 154652693

IUPACN-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide
SMILESCC(C)(O)c1ccc(C(=O)Nc2c[nH]c3cc(F)c(F)cc23)cc1
InChIInChI=1S/C18H16F2N2O2/c1-18(2,24)11-5-3-10(4-6-11)17(23)22-16-9-21-15-8-14(20)13(19)7-12(15)16/h3-9,21,24H,1-2H3,(H,22,23)
InChIKeyZAACNEKHBNUQNI-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.93
Rot. Bonds3

About N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide

N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide (PubChem CID 154652693) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide
PubChem CID154652693
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide
SMILESCC(C)(O)c1ccc(C(=O)Nc2c[nH]c3cc(F)c(F)cc23)cc1
InChIInChI=1S/C18H16F2N2O2/c1-18(2,24)11-5-3-10(4-6-11)17(23)22-16-9-21-15-8-14(20)13(19)7-12(15)16/h3-9,21,24H,1-2H3,(H,22,23)
InChIKeyZAACNEKHBNUQNI-UHFFFAOYSA-N
XLogP3.93
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5,6-difluoro-1H-indol-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154652690
4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide
CID 162444906
N-(5,6-difluoro-1H-indol-3-yl)-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 162444806
N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide
CID 154652721
6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide
CID 170068393
N-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide
CID 162445208
N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide
CID 154652719
N-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 167322945
N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 162444728
N-(5,6-difluoro-1H-indol-3-yl)-6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxamide
CID 162445062
N-(5,6-difluoro-1H-indol-3-yl)-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide
CID 162444742
N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 162444829

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide (CID 154652693) is N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide is CC(C)(O)c1ccc(C(=O)Nc2c[nH]c3cc(F)c(F)cc23)cc1.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide?
The InChIKey is ZAACNEKHBNUQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c1-18(2,24)11-5-3-10(4-6-11)17(23)22-16-9-21-15-8-14(20)13(19)7-12(15)16/h3-9,21,24H,1-2H3,(H,22,23).
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide?
N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide has a molecular weight of 330.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 154652693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).