2-(6-chloro-4H-1,3-benzodioxin-8-yl)-N-[(1R,3S)-3-methylcyclohexyl]acetamide

C17H22ClNO3 — CID 39264099

IUPAC2-(6-chloro-4H-1,3-benzodioxin-8-yl)-N-[(1R,3S)-3-methylcyclohexyl]acetamide
SMILESC[C@H]1CCC[C@@H](NC(=O)Cc2cc(Cl)cc3c2OCOC3)C1
InChIInChI=1S/C17H22ClNO3/c1-11-3-2-4-15(5-11)19-16(20)8-12-6-14(18)7-13-9-21-10-22-17(12)13/h6-7,11,15H,2-5,8-10H2,1H3,(H,19,20)/t11-,15+/m0/s1
InChIKeyDJBZQZAHOBLBFL-XHDPSFHLSA-N
MW323.82 g/mol
LogP3.44
Rot. Bonds3

About 2-(6-chloro-4H-1,3-benzodioxin-8-yl)-N-[(1R,3S)-3-methylcyclohexyl]acetamide

2-(6-chloro-4H-1,3-benzodioxin-8-yl)-N-[(1R,3S)-3-methylcyclohexyl]acetamide (PubChem CID 39264099) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-(6-chloro-4H-1,3-benzodioxin-8-yl)-N-[(1R,3S)-3-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-4H-1,3-benzodioxin-8-yl)-N-[(1R,3S)-3-methylcyclohexyl]acetamide
PubChem CID39264099
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name2-(6-chloro-4H-1,3-benzodioxin-8-yl)-N-[(1R,3S)-3-methylcyclohexyl]acetamide
SMILESC[C@H]1CCC[C@@H](NC(=O)Cc2cc(Cl)cc3c2OCOC3)C1
InChIInChI=1S/C17H22ClNO3/c1-11-3-2-4-15(5-11)19-16(20)8-12-6-14(18)7-13-9-21-10-22-17(12)13/h6-7,11,15H,2-5,8-10H2,1H3,(H,19,20)/t11-,15+/m0/s1
InChIKeyDJBZQZAHOBLBFL-XHDPSFHLSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6-chloro-4H-1,3-benzodioxin-8-yl)-N-[(1R,3S)-3-methylcyclohexyl]acetamide with MolForge

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Related Compounds

(6-chloro-4H-1,3-benzodioxin-8-yl)methanol
CID 16770161
(2R)-2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 31689095
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 9286967
2-(2-amino-5-methylphenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
CID 99991856
2-(2-chlorophenyl)-N-(3-methylcyclopentyl)acetamide
CID 114549493
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842595
3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid
CID 62229888
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(4-ethylphenyl)acetamide
CID 112768996
2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
CID 28689697
3-(2-hydroxyphenyl)-N-(3-methylcyclohexyl)propanamide
CID 47161541
(2R)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfonyl]-N-methylpropanamide
CID 52602450
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methylpiperidin-4-amine
CID 115312982

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4H-1,3-benzodioxin-8-yl)-N-[(1R,3S)-3-methylcyclohexyl]acetamide?
The IUPAC name of 2-(6-chloro-4H-1,3-benzodioxin-8-yl)-N-[(1R,3S)-3-methylcyclohexyl]acetamide (CID 39264099) is 2-(6-chloro-4H-1,3-benzodioxin-8-yl)-N-[(1R,3S)-3-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(6-chloro-4H-1,3-benzodioxin-8-yl)-N-[(1R,3S)-3-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(6-chloro-4H-1,3-benzodioxin-8-yl)-N-[(1R,3S)-3-methylcyclohexyl]acetamide is C[C@H]1CCC[C@@H](NC(=O)Cc2cc(Cl)cc3c2OCOC3)C1.
What is the InChIKey of 2-(6-chloro-4H-1,3-benzodioxin-8-yl)-N-[(1R,3S)-3-methylcyclohexyl]acetamide?
The InChIKey is DJBZQZAHOBLBFL-XHDPSFHLSA-N. The full InChI is InChI=1S/C17H22ClNO3/c1-11-3-2-4-15(5-11)19-16(20)8-12-6-14(18)7-13-9-21-10-22-17(12)13/h6-7,11,15H,2-5,8-10H2,1H3,(H,19,20)/t11-,15+/m0/s1.
What are the key properties of 2-(6-chloro-4H-1,3-benzodioxin-8-yl)-N-[(1R,3S)-3-methylcyclohexyl]acetamide?
2-(6-chloro-4H-1,3-benzodioxin-8-yl)-N-[(1R,3S)-3-methylcyclohexyl]acetamide has a molecular weight of 323.82 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4H-1,3-benzodioxin-8-yl)-N-[(1R,3S)-3-methylcyclohexyl]acetamide is sourced from PubChem (CID 39264099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).