N-[(4-bromophenyl)methyl]acetamide

C9H10BrNO — CID 15640188

IUPACN-[(4-bromophenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO/c1-7(12)11-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3,(H,11,12)
InChIKeyHBBBWKUVJSIFKV-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.09
Rot. Bonds2

About N-[(4-bromophenyl)methyl]acetamide

N-[(4-bromophenyl)methyl]acetamide (PubChem CID 15640188) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]acetamide
PubChem CID15640188
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC NameN-[(4-bromophenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO/c1-7(12)11-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3,(H,11,12)
InChIKeyHBBBWKUVJSIFKV-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]acetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]acetamide (CID 15640188) is N-[(4-bromophenyl)methyl]acetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]acetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]acetamide is CC(=O)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]acetamide?
The InChIKey is HBBBWKUVJSIFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-7(12)11-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of N-[(4-bromophenyl)methyl]acetamide?
N-[(4-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-[(4-bromophenyl)methyl]acetamide is sourced from PubChem (CID 15640188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).