2-[(2-bromophenyl)methoxy]butanamide

C11H14BrNO2 — CID 82831729

IUPAC2-[(2-bromophenyl)methoxy]butanamide
SMILESCCC(OCc1ccccc1Br)C(N)=O
InChIInChI=1S/C11H14BrNO2/c1-2-10(11(13)14)15-7-8-5-3-4-6-9(8)12/h3-6,10H,2,7H2,1H3,(H2,13,14)
InChIKeyWALHIPFGSYEHDU-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.23
Rot. Bonds5

About 2-[(2-bromophenyl)methoxy]butanamide

2-[(2-bromophenyl)methoxy]butanamide (PubChem CID 82831729) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]butanamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]butanamide
PubChem CID82831729
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-[(2-bromophenyl)methoxy]butanamide
SMILESCCC(OCc1ccccc1Br)C(N)=O
InChIInChI=1S/C11H14BrNO2/c1-2-10(11(13)14)15-7-8-5-3-4-6-9(8)12/h3-6,10H,2,7H2,1H3,(H2,13,14)
InChIKeyWALHIPFGSYEHDU-UHFFFAOYSA-N
XLogP2.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]butanamide?
The IUPAC name of 2-[(2-bromophenyl)methoxy]butanamide (CID 82831729) is 2-[(2-bromophenyl)methoxy]butanamide.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]butanamide?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]butanamide is CCC(OCc1ccccc1Br)C(N)=O.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]butanamide?
The InChIKey is WALHIPFGSYEHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-2-10(11(13)14)15-7-8-5-3-4-6-9(8)12/h3-6,10H,2,7H2,1H3,(H2,13,14).
What are the key properties of 2-[(2-bromophenyl)methoxy]butanamide?
2-[(2-bromophenyl)methoxy]butanamide has a molecular weight of 272.14 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]butanamide is sourced from PubChem (CID 82831729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).