N-(9-acetyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,5-dichloro-2-hydroxybenzamide

C16H18Cl2N2O4 — CID 178146348

IUPACN-(9-acetyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,5-dichloro-2-hydroxybenzamide
SMILESCC(=O)N1C2COCC1CC(NC(=O)c1cc(Cl)cc(Cl)c1O)C2
InChIInChI=1S/C16H18Cl2N2O4/c1-8(21)20-11-4-10(5-12(20)7-24-6-11)19-16(23)13-2-9(17)3-14(18)15(13)22/h2-3,10-12,22H,4-7H2,1H3,(H,19,23)
InChIKeyYRGWBYMIVHMXFO-UHFFFAOYSA-N
MW373.24 g/mol
LogP2.21
Rot. Bonds2

About N-(9-acetyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,5-dichloro-2-hydroxybenzamide

N-(9-acetyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,5-dichloro-2-hydroxybenzamide (PubChem CID 178146348) has the molecular formula C16H18Cl2N2O4 and a molecular weight of 373.24 g/mol. Its IUPAC name is N-(9-acetyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,5-dichloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(9-acetyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,5-dichloro-2-hydroxybenzamide
PubChem CID178146348
Molecular FormulaC16H18Cl2N2O4
Molecular Weight373.24 g/mol
Exact Mass372.06
IUPAC NameN-(9-acetyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,5-dichloro-2-hydroxybenzamide
SMILESCC(=O)N1C2COCC1CC(NC(=O)c1cc(Cl)cc(Cl)c1O)C2
InChIInChI=1S/C16H18Cl2N2O4/c1-8(21)20-11-4-10(5-12(20)7-24-6-11)19-16(23)13-2-9(17)3-14(18)15(13)22/h2-3,10-12,22H,4-7H2,1H3,(H,19,23)
InChIKeyYRGWBYMIVHMXFO-UHFFFAOYSA-N
XLogP2.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide
CID 178146426
3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide
CID 72547632
N-(3-acetyl-3-azabicyclo[3.2.1]octan-8-yl)-3,5-dichloro-2-hydroxybenzamide
CID 178146375
[(3R)-oxolan-3-yl] 4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidine-1-carboxylate
CID 178146528
2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 178146520
3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide
CID 178146238
3,5-dichloro-N-[(1R,4R,5S)-2-cyclopropylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]-2-hydroxybenzamide
CID 178146487
3,5-dichloro-N-[(3S,5S)-5-ethyl-1-([1,3]thiazolo[5,4-b]pyridin-5-yl)pyrrolidin-3-yl]-2-hydroxybenzamide
CID 144738337
3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide
CID 178146534
3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide
CID 144738035
3,5-dichloro-2-hydroxy-N-[(3S)-1-(6-oxo-1H-pyridin-3-yl)pyrrolidin-3-yl]benzamide;fluorobenzene
CID 144738137
6-chloro-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-benzimidazole-4-carboxamide
CID 6949903

Frequently Asked Questions

What is the IUPAC name of N-(9-acetyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,5-dichloro-2-hydroxybenzamide?
The IUPAC name of N-(9-acetyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,5-dichloro-2-hydroxybenzamide (CID 178146348) is N-(9-acetyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,5-dichloro-2-hydroxybenzamide.
What is the SMILES notation for N-(9-acetyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,5-dichloro-2-hydroxybenzamide?
The canonical SMILES for N-(9-acetyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,5-dichloro-2-hydroxybenzamide is CC(=O)N1C2COCC1CC(NC(=O)c1cc(Cl)cc(Cl)c1O)C2.
What is the InChIKey of N-(9-acetyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,5-dichloro-2-hydroxybenzamide?
The InChIKey is YRGWBYMIVHMXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O4/c1-8(21)20-11-4-10(5-12(20)7-24-6-11)19-16(23)13-2-9(17)3-14(18)15(13)22/h2-3,10-12,22H,4-7H2,1H3,(H,19,23).
What are the key properties of N-(9-acetyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,5-dichloro-2-hydroxybenzamide?
N-(9-acetyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,5-dichloro-2-hydroxybenzamide has a molecular weight of 373.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-acetyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,5-dichloro-2-hydroxybenzamide is sourced from PubChem (CID 178146348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).