2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide

C15H19ClN2O3 — CID 43736506

IUPAC2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide
SMILESNC(=O)c1ccc(NC2CCC3(CC2)OCCO3)cc1Cl
InChIInChI=1S/C15H19ClN2O3/c16-13-9-11(1-2-12(13)14(17)19)18-10-3-5-15(6-4-10)20-7-8-21-15/h1-2,9-10,18H,3-8H2,(H2,17,19)
InChIKeyZDRNSFAWOAYPFX-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.54
Rot. Bonds3

About 2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide

2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide (PubChem CID 43736506) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide.

Molecular Properties

Compound Name2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide
PubChem CID43736506
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide
SMILESNC(=O)c1ccc(NC2CCC3(CC2)OCCO3)cc1Cl
InChIInChI=1S/C15H19ClN2O3/c16-13-9-11(1-2-12(13)14(17)19)18-10-3-5-15(6-4-10)20-7-8-21-15/h1-2,9-10,18H,3-8H2,(H2,17,19)
InChIKeyZDRNSFAWOAYPFX-UHFFFAOYSA-N
XLogP2.54
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzoic acid
CID 43736297
2-chloro-4-(cyclopentylamino)benzamide
CID 43736418
2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide
CID 79111094
3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide
CID 28650668
4-(azepan-4-ylamino)-2-chlorobenzamide
CID 103981405
N-(4-chloro-3-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43719499
2-chloro-4-(oxan-4-ylamino)benzenecarbothioamide
CID 62948116
2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43736426
2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide
CID 64501725
2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide
CID 115348892
2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide
CID 81251727
N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43732753

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide?
The IUPAC name of 2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide (CID 43736506) is 2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide.
What is the SMILES notation for 2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide?
The canonical SMILES for 2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide is NC(=O)c1ccc(NC2CCC3(CC2)OCCO3)cc1Cl.
What is the InChIKey of 2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide?
The InChIKey is ZDRNSFAWOAYPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-13-9-11(1-2-12(13)14(17)19)18-10-3-5-15(6-4-10)20-7-8-21-15/h1-2,9-10,18H,3-8H2,(H2,17,19).
What are the key properties of 2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide?
2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide has a molecular weight of 310.78 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide is sourced from PubChem (CID 43736506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).