2-bromo-N-[(3-methylphenyl)methyl]acetamide

C10H12BrNO — CID 63679307

IUPAC2-bromo-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CBr)c1
InChIInChI=1S/C10H12BrNO/c1-8-3-2-4-9(5-8)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyVHFTVTDWUDNEOK-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.01
Rot. Bonds3

About 2-bromo-N-[(3-methylphenyl)methyl]acetamide

2-bromo-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 63679307) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-bromo-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[(3-methylphenyl)methyl]acetamide
PubChem CID63679307
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name2-bromo-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CBr)c1
InChIInChI=1S/C10H12BrNO/c1-8-3-2-4-9(5-8)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyVHFTVTDWUDNEOK-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107216595
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294910
N'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945602
methyl 3-[[(2-bromoacetyl)amino]methyl]benzoate
CID 58009722
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
(3-methylphenyl)methylurea
CID 60776531
ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992182

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-bromo-N-[(3-methylphenyl)methyl]acetamide (CID 63679307) is 2-bromo-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-bromo-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-bromo-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)CBr)c1.
What is the InChIKey of 2-bromo-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is VHFTVTDWUDNEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-8-3-2-4-9(5-8)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of 2-bromo-N-[(3-methylphenyl)methyl]acetamide?
2-bromo-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 242.12 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 63679307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).