(2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide

C15H15BrN2O2 — CID 81425486

IUPAC(2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide
SMILESCOc1cc(NC(=O)[C@H](N)c2ccccc2)ccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-20-13-9-11(7-8-12(13)16)18-15(19)14(17)10-5-3-2-4-6-10/h2-9,14H,17H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyRDHJIBRRZHNXIT-CQSZACIVSA-N
MW335.20 g/mol
LogP3.10
Rot. Bonds4

About (2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide

(2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide (PubChem CID 81425486) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide
PubChem CID81425486
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name(2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide
SMILESCOc1cc(NC(=O)[C@H](N)c2ccccc2)ccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-20-13-9-11(7-8-12(13)16)18-15(19)14(17)10-5-3-2-4-6-10/h2-9,14H,17H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyRDHJIBRRZHNXIT-CQSZACIVSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide (CID 81425486) is (2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide is COc1cc(NC(=O)[C@H](N)c2ccccc2)ccc1Br.
What is the InChIKey of (2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide?
The InChIKey is RDHJIBRRZHNXIT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-20-13-9-11(7-8-12(13)16)18-15(19)14(17)10-5-3-2-4-6-10/h2-9,14H,17H2,1H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide?
(2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide has a molecular weight of 335.20 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 81425486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).