N-[(2-bromophenyl)methyl]-2-oxopropanamide

C10H10BrNO2 — CID 110478310

IUPACN-[(2-bromophenyl)methyl]-2-oxopropanamide
SMILESCC(=O)C(=O)NCc1ccccc1Br
InChIInChI=1S/C10H10BrNO2/c1-7(13)10(14)12-6-8-4-2-3-5-9(8)11/h2-5H,6H2,1H3,(H,12,14)
InChIKeyDYBISAPJQFNNLH-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.65
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-2-oxopropanamide

N-[(2-bromophenyl)methyl]-2-oxopropanamide (PubChem CID 110478310) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-oxopropanamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-oxopropanamide
PubChem CID110478310
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC NameN-[(2-bromophenyl)methyl]-2-oxopropanamide
SMILESCC(=O)C(=O)NCc1ccccc1Br
InChIInChI=1S/C10H10BrNO2/c1-7(13)10(14)12-6-8-4-2-3-5-9(8)11/h2-5H,6H2,1H3,(H,12,14)
InChIKeyDYBISAPJQFNNLH-UHFFFAOYSA-N
XLogP1.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromophenyl)methyl]acetamide
CID 2824953
N-[(2-aminophenyl)methyl]-2-oxopropanamide
CID 110478407
N-[(2-bromophenyl)methyl]-2-hydroxyacetamide
CID 115139901
N-[(2-bromophenyl)methyl]-2-(dimethylamino)acetamide
CID 110479783
N-[(2-bromophenyl)methyl]-3-methyl-2-sulfanylbutanamide
CID 107024172
3-amino-N-[(2-bromophenyl)methyl]butanamide
CID 61402410
N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide
CID 112727459
N-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66334349
4-[(2-bromophenyl)methylamino]-3,3-dimethyl-4-oxobutanoic acid
CID 115164842
2-[(2-bromophenyl)methylcarbamoyl-methylamino]acetic acid
CID 61414155
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide
CID 113308938
N-[(2-bromophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309963

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-oxopropanamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-oxopropanamide (CID 110478310) is N-[(2-bromophenyl)methyl]-2-oxopropanamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-oxopropanamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-oxopropanamide is CC(=O)C(=O)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-oxopropanamide?
The InChIKey is DYBISAPJQFNNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-7(13)10(14)12-6-8-4-2-3-5-9(8)11/h2-5H,6H2,1H3,(H,12,14).
What are the key properties of N-[(2-bromophenyl)methyl]-2-oxopropanamide?
N-[(2-bromophenyl)methyl]-2-oxopropanamide has a molecular weight of 256.10 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-oxopropanamide is sourced from PubChem (CID 110478310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).