N-[(2-bromophenyl)methyl]acetamide

C9H10BrNO — CID 2824953

IUPACN-[(2-bromophenyl)methyl]acetamide
SMILESCC(=O)NCc1ccccc1Br
InChIInChI=1S/C9H10BrNO/c1-7(12)11-6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3,(H,11,12)
InChIKeyBWFCPQHLMPFBQH-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.09
Rot. Bonds2

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

N-[(2-bromophenyl)methyl]acetamide (PubChem CID 2824953) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]acetamide
PubChem CID2824953
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC NameN-[(2-bromophenyl)methyl]acetamide
SMILESCC(=O)NCc1ccccc1Br
InChIInChI=1S/C9H10BrNO/c1-7(12)11-6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3,(H,11,12)
InChIKeyBWFCPQHLMPFBQH-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-2-oxopropanamide
CID 110478310
N-[(2-bromophenyl)methyl]-2-hydroxyacetamide
CID 115139901
N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide
CID 112727459
ethane;N-[(2-ethylphenyl)methyl]acetamide
CID 142489172
N-[(2-bromophenyl)methyl]-2-(dimethylamino)acetamide
CID 110479783
N-[[2-(sulfanylmethyl)phenyl]methyl]acetamide
CID 145293797
N-[(2-bromophenyl)methyl]-3-methyl-2-sulfanylbutanamide
CID 107024172
3-amino-N-[(2-bromophenyl)methyl]butanamide
CID 61402410
N-[(2-tert-butylphenyl)methyl]acetamide
CID 89458599
2-[(2-bromophenyl)methylcarbamoyl-methylamino]acetic acid
CID 61414155
4-[(2-bromophenyl)methylamino]-3,3-dimethyl-4-oxobutanoic acid
CID 115164842
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide
CID 113308938

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]acetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]acetamide (CID 2824953) is N-[(2-bromophenyl)methyl]acetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]acetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]acetamide is CC(=O)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]acetamide?
The InChIKey is BWFCPQHLMPFBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-7(12)11-6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of N-[(2-bromophenyl)methyl]acetamide?
N-[(2-bromophenyl)methyl]acetamide has a molecular weight of 228.09 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]acetamide is sourced from PubChem (CID 2824953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).