N-[4-(2-bromoacetyl)-2-methylphenyl]propanamide

C12H14BrNO2 — CID 123771315

IUPACN-[4-(2-bromoacetyl)-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)CBr)cc1C
InChIInChI=1S/C12H14BrNO2/c1-3-12(16)14-10-5-4-9(6-8(10)2)11(15)7-13/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyYCXINYHAJZKTIB-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.92
Rot. Bonds4

About N-[4-(2-bromoacetyl)-2-methylphenyl]propanamide

N-[4-(2-bromoacetyl)-2-methylphenyl]propanamide (PubChem CID 123771315) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is N-[4-(2-bromoacetyl)-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-bromoacetyl)-2-methylphenyl]propanamide
PubChem CID123771315
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC NameN-[4-(2-bromoacetyl)-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)CBr)cc1C
InChIInChI=1S/C12H14BrNO2/c1-3-12(16)14-10-5-4-9(6-8(10)2)11(15)7-13/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyYCXINYHAJZKTIB-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-chloropropanoyl)-2-methylphenyl]propanamide
CID 82044753
N-(4-amino-2-methylphenyl)propanamide
CID 839309
4-methyl-3-(propanoylamino)benzoic acid
CID 888092
4-methyl-3-(propanoylamino)benzoate
CID 4745923
2-bromo-1-(4-hydroxy-3-methylphenyl)ethanone
CID 11218449
methyl 4-(3-bromopropanoylamino)-3-methylbenzoate
CID 13400011
2-bromo-1-(4-iodo-3-methylphenyl)ethanone
CID 91882538
N-[2-bromo-4-(2-bromoacetyl)phenyl]acetamide
CID 14617327
N,N,4-trimethyl-3-(propanoylamino)benzamide
CID 60650905
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-(2-methyl-4-sulfamoylphenyl)propanamide
CID 43133967
2-bromo-1-(4-ethoxy-3-methylphenyl)ethanone
CID 82482827

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromoacetyl)-2-methylphenyl]propanamide?
The IUPAC name of N-[4-(2-bromoacetyl)-2-methylphenyl]propanamide (CID 123771315) is N-[4-(2-bromoacetyl)-2-methylphenyl]propanamide.
What is the SMILES notation for N-[4-(2-bromoacetyl)-2-methylphenyl]propanamide?
The canonical SMILES for N-[4-(2-bromoacetyl)-2-methylphenyl]propanamide is CCC(=O)Nc1ccc(C(=O)CBr)cc1C.
What is the InChIKey of N-[4-(2-bromoacetyl)-2-methylphenyl]propanamide?
The InChIKey is YCXINYHAJZKTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-3-12(16)14-10-5-4-9(6-8(10)2)11(15)7-13/h4-6H,3,7H2,1-2H3,(H,14,16).
What are the key properties of N-[4-(2-bromoacetyl)-2-methylphenyl]propanamide?
N-[4-(2-bromoacetyl)-2-methylphenyl]propanamide has a molecular weight of 284.15 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromoacetyl)-2-methylphenyl]propanamide is sourced from PubChem (CID 123771315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).