N-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide

C17H16ClNO3 — CID 18103899

IUPACN-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cc3c(cc2Cl)OCO3)cc1C
InChIInChI=1S/C17H16ClNO3/c1-10-3-4-12(5-11(10)2)6-17(20)19-14-8-16-15(7-13(14)18)21-9-22-16/h3-5,7-8H,6,9H2,1-2H3,(H,19,20)
InChIKeyIJJAIBUOCAZQBH-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.87
Rot. Bonds3

About N-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide

N-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide (PubChem CID 18103899) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide
PubChem CID18103899
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC NameN-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cc3c(cc2Cl)OCO3)cc1C
InChIInChI=1S/C17H16ClNO3/c1-10-3-4-12(5-11(10)2)6-17(20)19-14-8-16-15(7-13(14)18)21-9-22-16/h3-5,7-8H,6,9H2,1-2H3,(H,19,20)
InChIKeyIJJAIBUOCAZQBH-UHFFFAOYSA-N
XLogP3.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide
CID 43703608
N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 5425784
N-(6-chloro-1,3-benzodioxol-5-yl)butanamide
CID 34536772
3-[(6-chloro-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 62231463
2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide
CID 41107875
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide
CID 18076767
N-(6-chloro-1,3-benzodioxol-5-yl)-2-(prop-2-ynylamino)acetamide
CID 112722706
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,5-dimethylanilino)acetamide
CID 30534293
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 8501521
methyl 4-[[2-[(6-chloro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]amino]-3-methylbenzoate
CID 32914612
N-(6-chloro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide
CID 60699580
N-(6-chloro-1,3-benzodioxol-5-yl)-4-iodobenzamide
CID 39728188

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide (CID 18103899) is N-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)Nc2cc3c(cc2Cl)OCO3)cc1C.
What is the InChIKey of N-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is IJJAIBUOCAZQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-10-3-4-12(5-11(10)2)6-17(20)19-14-8-16-15(7-13(14)18)21-9-22-16/h3-5,7-8H,6,9H2,1-2H3,(H,19,20).
What are the key properties of N-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide?
N-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 317.77 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 18103899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).