N-(6-chloro-1,3-benzodioxol-5-yl)butanamide

C11H12ClNO3 — CID 34536772

IUPACN-(6-chloro-1,3-benzodioxol-5-yl)butanamide
SMILESCCCC(=O)Nc1cc2c(cc1Cl)OCO2
InChIInChI=1S/C11H12ClNO3/c1-2-3-11(14)13-8-5-10-9(4-7(8)12)15-6-16-10/h4-5H,2-3,6H2,1H3,(H,13,14)
InChIKeyFRYSPXFACQEVNI-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.81
Rot. Bonds3

About N-(6-chloro-1,3-benzodioxol-5-yl)butanamide

N-(6-chloro-1,3-benzodioxol-5-yl)butanamide (PubChem CID 34536772) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzodioxol-5-yl)butanamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzodioxol-5-yl)butanamide
PubChem CID34536772
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC NameN-(6-chloro-1,3-benzodioxol-5-yl)butanamide
SMILESCCCC(=O)Nc1cc2c(cc1Cl)OCO2
InChIInChI=1S/C11H12ClNO3/c1-2-3-11(14)13-8-5-10-9(4-7(8)12)15-6-16-10/h4-5H,2-3,6H2,1H3,(H,13,14)
InChIKeyFRYSPXFACQEVNI-UHFFFAOYSA-N
XLogP2.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-chloro-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 62231463
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)octanamide
CID 134045874
2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide
CID 43703608
N-(6-chloro-1,3-benzodioxol-5-yl)-2-(prop-2-ynylamino)acetamide
CID 112722706
N-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide
CID 18103899
1-[(2R)-butan-2-yl]-3-(6-chloro-1,3-benzodioxol-5-yl)urea
CID 51928180
N-(6-chloro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide
CID 60699580
3-[(6-chloro-1,3-benzodioxol-5-yl)carbamoyl-methylamino]propanoic acid
CID 122075057
2-(aminomethyl)-N-(6-chloro-1,3-benzodioxol-5-yl)butanamide
CID 65224990
N-(6-chloro-1,3-benzodioxol-5-yl)-2-piperidin-4-ylacetamide
CID 61029942
6-chloro-N-pentyl-1,3-benzodioxol-5-amine
CID 43685737
N-(6-chloro-1,3-benzodioxol-5-yl)prop-2-enamide
CID 43616646

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)butanamide?
The IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)butanamide (CID 34536772) is N-(6-chloro-1,3-benzodioxol-5-yl)butanamide.
What is the SMILES notation for N-(6-chloro-1,3-benzodioxol-5-yl)butanamide?
The canonical SMILES for N-(6-chloro-1,3-benzodioxol-5-yl)butanamide is CCCC(=O)Nc1cc2c(cc1Cl)OCO2.
What is the InChIKey of N-(6-chloro-1,3-benzodioxol-5-yl)butanamide?
The InChIKey is FRYSPXFACQEVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-2-3-11(14)13-8-5-10-9(4-7(8)12)15-6-16-10/h4-5H,2-3,6H2,1H3,(H,13,14).
What are the key properties of N-(6-chloro-1,3-benzodioxol-5-yl)butanamide?
N-(6-chloro-1,3-benzodioxol-5-yl)butanamide has a molecular weight of 241.67 g/mol, XLogP of 2.81, 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)butanamide is sourced from PubChem (CID 34536772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).