5-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide

C14H19ClN2O3 — CID 82847981

IUPAC5-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide
SMILESCC(N)CCCC(=O)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C14H19ClN2O3/c1-9(16)3-2-4-14(18)17-11-8-13-12(7-10(11)15)19-5-6-20-13/h7-9H,2-6,16H2,1H3,(H,17,18)
InChIKeyGCTNJNXIMKJOIW-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.57
Rot. Bonds5

About 5-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide

5-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide (PubChem CID 82847981) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide
PubChem CID82847981
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name5-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide
SMILESCC(N)CCCC(=O)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C14H19ClN2O3/c1-9(16)3-2-4-14(18)17-11-8-13-12(7-10(11)15)19-5-6-20-13/h7-9H,2-6,16H2,1H3,(H,17,18)
InChIKeyGCTNJNXIMKJOIW-UHFFFAOYSA-N
XLogP2.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)octanamide
CID 134045874
2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride
CID 119275630
(2S)-2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide
CID 103831144
5-amino-N-(6-nitro-1,3-benzodioxol-5-yl)hexanamide
CID 82850116
3-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropanamide
CID 55105178
3-(5-aminohexanoylamino)-4-chlorobenzoic acid
CID 82852012
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,3-dimethylbutanamide
CID 39820085
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(2-methylpropoxy)propanamide
CID 38976932
N-(6-chloro-1,3-benzodioxol-5-yl)butanamide
CID 34536772
(2S)-2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylsulfanylbutanamide
CID 61155646
5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 82848785
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;hydrochloride
CID 120558603

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide?
The IUPAC name of 5-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide (CID 82847981) is 5-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide.
What is the SMILES notation for 5-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide?
The canonical SMILES for 5-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide is CC(N)CCCC(=O)Nc1cc2c(cc1Cl)OCCO2.
What is the InChIKey of 5-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide?
The InChIKey is GCTNJNXIMKJOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-9(16)3-2-4-14(18)17-11-8-13-12(7-10(11)15)19-5-6-20-13/h7-9H,2-6,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide?
5-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide has a molecular weight of 298.77 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide is sourced from PubChem (CID 82847981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).