N-(2-bromoprop-2-enyl)-2-phenylacetamide

C11H12BrNO — CID 115594657

IUPACN-(2-bromoprop-2-enyl)-2-phenylacetamide
SMILESC=C(Br)CNC(=O)Cc1ccccc1
InChIInChI=1S/C11H12BrNO/c1-9(12)8-13-11(14)7-10-5-3-2-4-6-10/h2-6H,1,7-8H2,(H,13,14)
InChIKeyFAIOPIMJWLHKBB-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.25
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-2-phenylacetamide

N-(2-bromoprop-2-enyl)-2-phenylacetamide (PubChem CID 115594657) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-phenylacetamide
PubChem CID115594657
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC NameN-(2-bromoprop-2-enyl)-2-phenylacetamide
SMILESC=C(Br)CNC(=O)Cc1ccccc1
InChIInChI=1S/C11H12BrNO/c1-9(12)8-13-11(14)7-10-5-3-2-4-6-10/h2-6H,1,7-8H2,(H,13,14)
InChIKeyFAIOPIMJWLHKBB-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427
methylphosphane;N-(2-oxopropyl)-2-phenylacetamide
CID 161423403
N-[2-oxo-2-(prop-2-enylamino)ethyl]-2-phenylacetamide
CID 9442349
N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide
CID 115686682
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
molecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide
CID 144547081
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
N-(2-bromoprop-2-enyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 115594615
N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide
CID 115609084
N-(2-bromoprop-2-enyl)-2-fluorobenzamide
CID 115594605
2-(4-bromophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993255
N-[2-(2-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 2224642

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-phenylacetamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-phenylacetamide (CID 115594657) is N-(2-bromoprop-2-enyl)-2-phenylacetamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-phenylacetamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-phenylacetamide is C=C(Br)CNC(=O)Cc1ccccc1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-phenylacetamide?
The InChIKey is FAIOPIMJWLHKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-9(12)8-13-11(14)7-10-5-3-2-4-6-10/h2-6H,1,7-8H2,(H,13,14).
What are the key properties of N-(2-bromoprop-2-enyl)-2-phenylacetamide?
N-(2-bromoprop-2-enyl)-2-phenylacetamide has a molecular weight of 254.13 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-phenylacetamide is sourced from PubChem (CID 115594657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).