2-bromo-N-(1-phenylethenyl)propanamide

C11H12BrNO — CID 57323487

IUPAC2-bromo-N-(1-phenylethenyl)propanamide
SMILESC=C(NC(=O)C(C)Br)c1ccccc1
InChIInChI=1S/C11H12BrNO/c1-8(12)11(14)13-9(2)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,13,14)
InChIKeyPSIWYBYPTBPWKT-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.56
Rot. Bonds3

About 2-bromo-N-(1-phenylethenyl)propanamide

2-bromo-N-(1-phenylethenyl)propanamide (PubChem CID 57323487) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-bromo-N-(1-phenylethenyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(1-phenylethenyl)propanamide
PubChem CID57323487
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name2-bromo-N-(1-phenylethenyl)propanamide
SMILESC=C(NC(=O)C(C)Br)c1ccccc1
InChIInChI=1S/C11H12BrNO/c1-8(12)11(14)13-9(2)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,13,14)
InChIKeyPSIWYBYPTBPWKT-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenylethenylcarbamic acid
CID 70424061
methane;molecular hydrogen;N-(1-phenylethenyl)acetamide
CID 159750182
2-bromo-1-phenylpropan-1-one;ethane
CID 91095802
3-bromo-1-phenylbutane-1,2-dione
CID 23455643
tert-butyl N-(1-phenylethenyl)carbamate
CID 24881759
2-methyl-1-phenylpropan-1-one;2-methylprop-2-enoic acid
CID 175602127
(1R)-1-phenyl-N-(1-phenylethenyl)ethanamine
CID 89302645
N-(2,4-dimethylpent-4-enoyl)benzamide
CID 15864898
(3R)-2-methylidene-1,3-diphenylbutan-1-one
CID 10014345
2-bromo-N-[(1R)-1-phenylpropyl]propanamide
CID 165438304
ethane;3-methyl-2-methylidene-1-phenylbutan-1-one
CID 91407389
3-methyl-4-phenylpent-4-en-2-one
CID 130028619

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-phenylethenyl)propanamide?
The IUPAC name of 2-bromo-N-(1-phenylethenyl)propanamide (CID 57323487) is 2-bromo-N-(1-phenylethenyl)propanamide.
What is the SMILES notation for 2-bromo-N-(1-phenylethenyl)propanamide?
The canonical SMILES for 2-bromo-N-(1-phenylethenyl)propanamide is C=C(NC(=O)C(C)Br)c1ccccc1.
What is the InChIKey of 2-bromo-N-(1-phenylethenyl)propanamide?
The InChIKey is PSIWYBYPTBPWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-8(12)11(14)13-9(2)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,13,14).
What are the key properties of 2-bromo-N-(1-phenylethenyl)propanamide?
2-bromo-N-(1-phenylethenyl)propanamide has a molecular weight of 254.13 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-phenylethenyl)propanamide is sourced from PubChem (CID 57323487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).