N-[4-(2-bromopropanoyl)phenyl]-N-methylformamide

C11H12BrNO2 — CID 43154709

IUPACN-[4-(2-bromopropanoyl)phenyl]-N-methylformamide
SMILESCC(Br)C(=O)c1ccc(N(C)C=O)cc1
InChIInChI=1S/C11H12BrNO2/c1-8(12)11(15)9-3-5-10(6-4-9)13(2)7-14/h3-8H,1-2H3
InChIKeyQUPPHLZSMLIVGY-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.25
Rot. Bonds4

About N-[4-(2-bromopropanoyl)phenyl]-N-methylformamide

N-[4-(2-bromopropanoyl)phenyl]-N-methylformamide (PubChem CID 43154709) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is N-[4-(2-bromopropanoyl)phenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[4-(2-bromopropanoyl)phenyl]-N-methylformamide
PubChem CID43154709
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC NameN-[4-(2-bromopropanoyl)phenyl]-N-methylformamide
SMILESCC(Br)C(=O)c1ccc(N(C)C=O)cc1
InChIInChI=1S/C11H12BrNO2/c1-8(12)11(15)9-3-5-10(6-4-9)13(2)7-14/h3-8H,1-2H3
InChIKeyQUPPHLZSMLIVGY-UHFFFAOYSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromopropanoyl)phenyl]-N-methylformamide?
The IUPAC name of N-[4-(2-bromopropanoyl)phenyl]-N-methylformamide (CID 43154709) is N-[4-(2-bromopropanoyl)phenyl]-N-methylformamide.
What is the SMILES notation for N-[4-(2-bromopropanoyl)phenyl]-N-methylformamide?
The canonical SMILES for N-[4-(2-bromopropanoyl)phenyl]-N-methylformamide is CC(Br)C(=O)c1ccc(N(C)C=O)cc1.
What is the InChIKey of N-[4-(2-bromopropanoyl)phenyl]-N-methylformamide?
The InChIKey is QUPPHLZSMLIVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-8(12)11(15)9-3-5-10(6-4-9)13(2)7-14/h3-8H,1-2H3.
What are the key properties of N-[4-(2-bromopropanoyl)phenyl]-N-methylformamide?
N-[4-(2-bromopropanoyl)phenyl]-N-methylformamide has a molecular weight of 270.13 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromopropanoyl)phenyl]-N-methylformamide is sourced from PubChem (CID 43154709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).