N-(3-acetyl-3-azabicyclo[3.2.1]octan-8-yl)-3,5-dichloro-2-hydroxybenzamide

C16H18Cl2N2O3 — CID 178146375

IUPACN-(3-acetyl-3-azabicyclo[3.2.1]octan-8-yl)-3,5-dichloro-2-hydroxybenzamide
SMILESCC(=O)N1CC2CCC(C1)C2NC(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H18Cl2N2O3/c1-8(21)20-6-9-2-3-10(7-20)14(9)19-16(23)12-4-11(17)5-13(18)15(12)22/h4-5,9-10,14,22H,2-3,6-7H2,1H3,(H,19,23)
InChIKeyJHFPWUBYQFJBNA-UHFFFAOYSA-N
MW357.24 g/mol
LogP2.69
Rot. Bonds2

About N-(3-acetyl-3-azabicyclo[3.2.1]octan-8-yl)-3,5-dichloro-2-hydroxybenzamide

N-(3-acetyl-3-azabicyclo[3.2.1]octan-8-yl)-3,5-dichloro-2-hydroxybenzamide (PubChem CID 178146375) has the molecular formula C16H18Cl2N2O3 and a molecular weight of 357.24 g/mol. Its IUPAC name is N-(3-acetyl-3-azabicyclo[3.2.1]octan-8-yl)-3,5-dichloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-acetyl-3-azabicyclo[3.2.1]octan-8-yl)-3,5-dichloro-2-hydroxybenzamide
PubChem CID178146375
Molecular FormulaC16H18Cl2N2O3
Molecular Weight357.24 g/mol
Exact Mass356.07
IUPAC NameN-(3-acetyl-3-azabicyclo[3.2.1]octan-8-yl)-3,5-dichloro-2-hydroxybenzamide
SMILESCC(=O)N1CC2CCC(C1)C2NC(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H18Cl2N2O3/c1-8(21)20-6-9-2-3-10(7-20)14(9)19-16(23)12-4-11(17)5-13(18)15(12)22/h4-5,9-10,14,22H,2-3,6-7H2,1H3,(H,19,23)
InChIKeyJHFPWUBYQFJBNA-UHFFFAOYSA-N
XLogP2.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide
CID 72547632
N-(9-acetyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,5-dichloro-2-hydroxybenzamide
CID 178146348
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-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide
CID 178146426
1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 178146515
2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 178146520
[(3R)-oxolan-3-yl] 4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidine-1-carboxylate
CID 178146528
1-[4-(2,4,6-trichloroanilino)piperidin-1-yl]ethanone
CID 43773654
3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide
CID 144738541
3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide
CID 178146194
3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide
CID 144738035

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-3-azabicyclo[3.2.1]octan-8-yl)-3,5-dichloro-2-hydroxybenzamide?
The IUPAC name of N-(3-acetyl-3-azabicyclo[3.2.1]octan-8-yl)-3,5-dichloro-2-hydroxybenzamide (CID 178146375) is N-(3-acetyl-3-azabicyclo[3.2.1]octan-8-yl)-3,5-dichloro-2-hydroxybenzamide.
What is the SMILES notation for N-(3-acetyl-3-azabicyclo[3.2.1]octan-8-yl)-3,5-dichloro-2-hydroxybenzamide?
The canonical SMILES for N-(3-acetyl-3-azabicyclo[3.2.1]octan-8-yl)-3,5-dichloro-2-hydroxybenzamide is CC(=O)N1CC2CCC(C1)C2NC(=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-(3-acetyl-3-azabicyclo[3.2.1]octan-8-yl)-3,5-dichloro-2-hydroxybenzamide?
The InChIKey is JHFPWUBYQFJBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O3/c1-8(21)20-6-9-2-3-10(7-20)14(9)19-16(23)12-4-11(17)5-13(18)15(12)22/h4-5,9-10,14,22H,2-3,6-7H2,1H3,(H,19,23).
What are the key properties of N-(3-acetyl-3-azabicyclo[3.2.1]octan-8-yl)-3,5-dichloro-2-hydroxybenzamide?
N-(3-acetyl-3-azabicyclo[3.2.1]octan-8-yl)-3,5-dichloro-2-hydroxybenzamide has a molecular weight of 357.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-3-azabicyclo[3.2.1]octan-8-yl)-3,5-dichloro-2-hydroxybenzamide is sourced from PubChem (CID 178146375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).