N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide

C12H16BrNO2 — CID 114310520

IUPACN-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(C)CBr)cc1
InChIInChI=1S/C12H16BrNO2/c1-9(8-13)14-12(15)7-10-3-5-11(16-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyLWCNWEQFMPLULA-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.14
Rot. Bonds5

About N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide

N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 114310520) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID114310520
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(C)CBr)cc1
InChIInChI=1S/C12H16BrNO2/c1-9(8-13)14-12(15)7-10-3-5-11(16-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyLWCNWEQFMPLULA-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 104872813
2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide
CID 114310589
N-(1-bromo-4-methylpentan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114311652
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114310600
(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid
CID 42254545
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
N-(1-bromopropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114310617
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005
2-(4-ethylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 100589508
2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132651656
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 65315308

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide (CID 114310520) is N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC(C)CBr)cc1.
What is the InChIKey of N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is LWCNWEQFMPLULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(8-13)14-12(15)7-10-3-5-11(16-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide?
N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 286.17 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 114310520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).