(2R)-2-acetamido-N-[(4-bromophenyl)methyl]-3-methoxypropanamide

C13H17BrN2O3 — CID 45486398

IUPAC(2R)-2-acetamido-N-[(4-bromophenyl)methyl]-3-methoxypropanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O3/c1-9(17)16-12(8-19-2)13(18)15-7-10-3-5-11(14)6-4-10/h3-6,12H,7-8H2,1-2H3,(H,15,18)(H,16,17)/t12-/m1/s1
InChIKeyORFLXJCKCWYEPZ-GFCCVEGCSA-N
MW329.19 g/mol
LogP1.22
Rot. Bonds6

About (2R)-2-acetamido-N-[(4-bromophenyl)methyl]-3-methoxypropanamide

(2R)-2-acetamido-N-[(4-bromophenyl)methyl]-3-methoxypropanamide (PubChem CID 45486398) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[(4-bromophenyl)methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[(4-bromophenyl)methyl]-3-methoxypropanamide
PubChem CID45486398
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name(2R)-2-acetamido-N-[(4-bromophenyl)methyl]-3-methoxypropanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O3/c1-9(17)16-12(8-19-2)13(18)15-7-10-3-5-11(14)6-4-10/h3-6,12H,7-8H2,1-2H3,(H,15,18)(H,16,17)/t12-/m1/s1
InChIKeyORFLXJCKCWYEPZ-GFCCVEGCSA-N
XLogP1.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-acetamido-N-[(4-bromophenyl)methyl]-3-methoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[(4-bromophenyl)methyl]-3-methoxypropanamide?
The IUPAC name of (2R)-2-acetamido-N-[(4-bromophenyl)methyl]-3-methoxypropanamide (CID 45486398) is (2R)-2-acetamido-N-[(4-bromophenyl)methyl]-3-methoxypropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[(4-bromophenyl)methyl]-3-methoxypropanamide?
The canonical SMILES for (2R)-2-acetamido-N-[(4-bromophenyl)methyl]-3-methoxypropanamide is COC[C@@H](NC(C)=O)C(=O)NCc1ccc(Br)cc1.
What is the InChIKey of (2R)-2-acetamido-N-[(4-bromophenyl)methyl]-3-methoxypropanamide?
The InChIKey is ORFLXJCKCWYEPZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-9(17)16-12(8-19-2)13(18)15-7-10-3-5-11(14)6-4-10/h3-6,12H,7-8H2,1-2H3,(H,15,18)(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-[(4-bromophenyl)methyl]-3-methoxypropanamide?
(2R)-2-acetamido-N-[(4-bromophenyl)methyl]-3-methoxypropanamide has a molecular weight of 329.19 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[(4-bromophenyl)methyl]-3-methoxypropanamide is sourced from PubChem (CID 45486398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).