N-[1-(4-bromophenyl)propan-2-yl]-2-methoxyacetamide

C12H16BrNO2 — CID 47036510

IUPACN-[1-(4-bromophenyl)propan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-9(14-12(15)8-16-2)7-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyALILXXGDUCOHDS-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.14
Rot. Bonds5

About N-[1-(4-bromophenyl)propan-2-yl]-2-methoxyacetamide

N-[1-(4-bromophenyl)propan-2-yl]-2-methoxyacetamide (PubChem CID 47036510) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-2-methoxyacetamide
PubChem CID47036510
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-9(14-12(15)8-16-2)7-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyALILXXGDUCOHDS-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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-2-methoxyacetamide (CID 47036510) is N-[1-(4-bromophenyl)propan-2-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-2-methoxyacetamide is COCC(=O)NC(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-2-methoxyacetamide?
The InChIKey is ALILXXGDUCOHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(14-12(15)8-16-2)7-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-2-methoxyacetamide?
N-[1-(4-bromophenyl)propan-2-yl]-2-methoxyacetamide 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-(4-bromophenyl)propan-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 47036510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).