N-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)acetamide

C15H12BrNO3 — CID 113098813

IUPACN-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)acetamide
SMILESO=C(Cc1ccccc1Br)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H12BrNO3/c16-12-4-2-1-3-10(12)7-15(18)17-11-5-6-13-14(8-11)20-9-19-13/h1-6,8H,7,9H2,(H,17,18)
InChIKeyPCNVZRXXOULRGK-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.36
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)acetamide (PubChem CID 113098813) has the molecular formula C15H12BrNO3 and a molecular weight of 334.17 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)acetamide
PubChem CID113098813
Molecular FormulaC15H12BrNO3
Molecular Weight334.17 g/mol
Exact Mass333.00
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)acetamide
SMILESO=C(Cc1ccccc1Br)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H12BrNO3/c16-12-4-2-1-3-10(12)7-15(18)17-11-5-6-13-14(8-11)20-9-19-13/h1-6,8H,7,9H2,(H,17,18)
InChIKeyPCNVZRXXOULRGK-UHFFFAOYSA-N
XLogP3.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-[(2-bromophenyl)methyl]urea
CID 1245708
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide
CID 110690742
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-(1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide
CID 110370513
1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea
CID 35524616
N-(1,3-benzodioxol-5-yl)-2-[5-(2-bromophenyl)tetrazol-2-yl]acetamide
CID 7963833
N-[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113021601
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
N-(1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
CID 803627
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-(2-methylphenyl)butanamide
CID 110606337
N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide
CID 86930980

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)acetamide (CID 113098813) is N-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)acetamide is O=C(Cc1ccccc1Br)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)acetamide?
The InChIKey is PCNVZRXXOULRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO3/c16-12-4-2-1-3-10(12)7-15(18)17-11-5-6-13-14(8-11)20-9-19-13/h1-6,8H,7,9H2,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)acetamide has a molecular weight of 334.17 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)acetamide is sourced from PubChem (CID 113098813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).