N-(2-bromopropyl)-2-(3-methylphenyl)acetamide

C12H16BrNO — CID 114308603

IUPACN-(2-bromopropyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC(C)Br)c1
InChIInChI=1S/C12H16BrNO/c1-9-4-3-5-11(6-9)7-12(15)14-8-10(2)13/h3-6,10H,7-8H2,1-2H3,(H,14,15)
InChIKeyOXJLIMIHDKWDLY-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.44
Rot. Bonds4

About N-(2-bromopropyl)-2-(3-methylphenyl)acetamide

N-(2-bromopropyl)-2-(3-methylphenyl)acetamide (PubChem CID 114308603) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is N-(2-bromopropyl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-2-(3-methylphenyl)acetamide
PubChem CID114308603
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC NameN-(2-bromopropyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC(C)Br)c1
InChIInChI=1S/C12H16BrNO/c1-9-4-3-5-11(6-9)7-12(15)14-8-10(2)13/h3-6,10H,7-8H2,1-2H3,(H,14,15)
InChIKeyOXJLIMIHDKWDLY-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.44
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

N-[(2R)-2-methyl-3-(methylamino)propyl]-2-(3-methylphenyl)acetamide
CID 99646919
N-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide
CID 64540830
N-(2-bromopropyl)-3-methylbenzamide
CID 114308795
methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate
CID 103879292
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(3-methylphenyl)acetamide
CID 90581416
4,4-dimethyl-2-[[[2-(3-methylphenyl)acetyl]amino]methyl]pentanoic acid
CID 107473898
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(3-methylphenyl)acetamide
CID 41453338
N-(5-bromo-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 106157270
N-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 114151356
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 97416790
2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 46045368

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(2-bromopropyl)-2-(3-methylphenyl)acetamide (CID 114308603) is N-(2-bromopropyl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(2-bromopropyl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(2-bromopropyl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCC(C)Br)c1.
What is the InChIKey of N-(2-bromopropyl)-2-(3-methylphenyl)acetamide?
The InChIKey is OXJLIMIHDKWDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-9-4-3-5-11(6-9)7-12(15)14-8-10(2)13/h3-6,10H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-(2-bromopropyl)-2-(3-methylphenyl)acetamide?
N-(2-bromopropyl)-2-(3-methylphenyl)acetamide has a molecular weight of 270.17 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 114308603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).