4-(6-azaspiro[3.4]octane-6-carbonyl)-3-chloro-5-hydroxybenzamide

C15H17ClN2O3 — CID 155555884

IUPAC4-(6-azaspiro[3.4]octane-6-carbonyl)-3-chloro-5-hydroxybenzamide
SMILESNC(=O)c1cc(O)c(C(=O)N2CCC3(CCC3)C2)c(Cl)c1
InChIInChI=1S/C15H17ClN2O3/c16-10-6-9(13(17)20)7-11(19)12(10)14(21)18-5-4-15(8-18)2-1-3-15/h6-7,19H,1-5,8H2,(H2,17,20)
InChIKeyCGAFPFXUSXQIML-UHFFFAOYSA-N
MW308.76 g/mol
LogP2.16
Rot. Bonds2

About 4-(6-azaspiro[3.4]octane-6-carbonyl)-3-chloro-5-hydroxybenzamide

4-(6-azaspiro[3.4]octane-6-carbonyl)-3-chloro-5-hydroxybenzamide (PubChem CID 155555884) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 4-(6-azaspiro[3.4]octane-6-carbonyl)-3-chloro-5-hydroxybenzamide.

Molecular Properties

Compound Name4-(6-azaspiro[3.4]octane-6-carbonyl)-3-chloro-5-hydroxybenzamide
PubChem CID155555884
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name4-(6-azaspiro[3.4]octane-6-carbonyl)-3-chloro-5-hydroxybenzamide
SMILESNC(=O)c1cc(O)c(C(=O)N2CCC3(CCC3)C2)c(Cl)c1
InChIInChI=1S/C15H17ClN2O3/c16-10-6-9(13(17)20)7-11(19)12(10)14(21)18-5-4-15(8-18)2-1-3-15/h6-7,19H,1-5,8H2,(H2,17,20)
InChIKeyCGAFPFXUSXQIML-UHFFFAOYSA-N
XLogP2.16
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-azaspiro[3.5]nonan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone
CID 155520631
(2,4-dichloro-6-hydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 155561420
8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone
CID 81307681
6-(5-azaspiro[2.5]octan-5-yl)-5-chloropyridine-3-carboxamide
CID 133480926
1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 178146515
[4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone
CID 119335964
(2S)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one
CID 99707450
6-azaspiro[2.5]octan-6-yl-(4-bromo-3-chlorophenyl)methanone
CID 167530662
2-azaspiro[4.5]decan-2-yl-(7-chloro-4-methoxy-1H-indol-2-yl)methanone
CID 167229545
5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide
CID 164631595
1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone
CID 130670155
1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128988885

Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[3.4]octane-6-carbonyl)-3-chloro-5-hydroxybenzamide?
The IUPAC name of 4-(6-azaspiro[3.4]octane-6-carbonyl)-3-chloro-5-hydroxybenzamide (CID 155555884) is 4-(6-azaspiro[3.4]octane-6-carbonyl)-3-chloro-5-hydroxybenzamide.
What is the SMILES notation for 4-(6-azaspiro[3.4]octane-6-carbonyl)-3-chloro-5-hydroxybenzamide?
The canonical SMILES for 4-(6-azaspiro[3.4]octane-6-carbonyl)-3-chloro-5-hydroxybenzamide is NC(=O)c1cc(O)c(C(=O)N2CCC3(CCC3)C2)c(Cl)c1.
What is the InChIKey of 4-(6-azaspiro[3.4]octane-6-carbonyl)-3-chloro-5-hydroxybenzamide?
The InChIKey is CGAFPFXUSXQIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c16-10-6-9(13(17)20)7-11(19)12(10)14(21)18-5-4-15(8-18)2-1-3-15/h6-7,19H,1-5,8H2,(H2,17,20).
What are the key properties of 4-(6-azaspiro[3.4]octane-6-carbonyl)-3-chloro-5-hydroxybenzamide?
4-(6-azaspiro[3.4]octane-6-carbonyl)-3-chloro-5-hydroxybenzamide has a molecular weight of 308.76 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azaspiro[3.4]octane-6-carbonyl)-3-chloro-5-hydroxybenzamide is sourced from PubChem (CID 155555884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).