N-(bromomethyl)-N-phenylacetamide

C9H10BrNO — CID 67904201

IUPACN-(bromomethyl)-N-phenylacetamide
SMILESCC(=O)N(CBr)c1ccccc1
InChIInChI=1S/C9H10BrNO/c1-8(12)11(7-10)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyMQCUABRPEZDFEG-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.39
Rot. Bonds2

About N-(bromomethyl)-N-phenylacetamide

N-(bromomethyl)-N-phenylacetamide (PubChem CID 67904201) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is N-(bromomethyl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(bromomethyl)-N-phenylacetamide
PubChem CID67904201
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC NameN-(bromomethyl)-N-phenylacetamide
SMILESCC(=O)N(CBr)c1ccccc1
InChIInChI=1S/C9H10BrNO/c1-8(12)11(7-10)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyMQCUABRPEZDFEG-UHFFFAOYSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(bromomethyl)-N-phenylacetamide
CID 67892280
N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide
CID 174953014
N-hexyl-N-phenylacetamide
CID 13217997
N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide
CID 113172989
N-(2-cyclopentylethyl)-N-phenylacetamide
CID 57298515
N-(butan-2-yloxymethyl)-N-phenylacetamide
CID 11117602
N-[2-(2-hydroxyethylsulfinyl)ethyl]-N-phenylacetamide
CID 165354958
N-phenyl-N-(prop-2-ynoxymethyl)acetamide
CID 163468588
methyl 2-[(N-acetylanilino)methyl]prop-2-enoate
CID 122402502
CID 146162510
CID 146162510

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-N-phenylacetamide?
The IUPAC name of N-(bromomethyl)-N-phenylacetamide (CID 67904201) is N-(bromomethyl)-N-phenylacetamide.
What is the SMILES notation for N-(bromomethyl)-N-phenylacetamide?
The canonical SMILES for N-(bromomethyl)-N-phenylacetamide is CC(=O)N(CBr)c1ccccc1.
What is the InChIKey of N-(bromomethyl)-N-phenylacetamide?
The InChIKey is MQCUABRPEZDFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-8(12)11(7-10)9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of N-(bromomethyl)-N-phenylacetamide?
N-(bromomethyl)-N-phenylacetamide has a molecular weight of 228.09 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-N-phenylacetamide is sourced from PubChem (CID 67904201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).