2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide

C12H15BrN2O3 — CID 47374439

IUPAC2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide
SMILESCOCC(=O)N(CC(N)=O)Cc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O3/c1-18-8-12(17)15(7-11(14)16)6-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H2,14,16)
InChIKeyHAFKKJULARXQTC-UHFFFAOYSA-N
MW315.17 g/mol
LogP0.91
Rot. Bonds6

About 2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide

2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide (PubChem CID 47374439) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide
PubChem CID47374439
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide
SMILESCOCC(=O)N(CC(N)=O)Cc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O3/c1-18-8-12(17)15(7-11(14)16)6-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H2,14,16)
InChIKeyHAFKKJULARXQTC-UHFFFAOYSA-N
XLogP0.91
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide
CID 106112171
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)propanamide
CID 62835708
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide
CID 61264658
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60963762
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide
CID 62837088
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide
CID 60912130
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide
CID 60963304
2-[ethyl-(2-methoxyacetyl)amino]acetamide
CID 103104209
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79201773
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61364086
N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide
CID 103017682
N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 103601047

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide (CID 47374439) is 2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide is COCC(=O)N(CC(N)=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide?
The InChIKey is HAFKKJULARXQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-18-8-12(17)15(7-11(14)16)6-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H2,14,16).
What are the key properties of 2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide?
2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide has a molecular weight of 315.17 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide is sourced from PubChem (CID 47374439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).