(2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide

C17H15BrN2O3 — CID 8978416

IUPAC(2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
SMILESCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C17H15BrN2O3/c1-11(17(21)20-14-5-3-4-13(18)9-14)23-15-7-6-12(10-19)8-16(15)22-2/h3-9,11H,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyVVAIGAPPXSHLPY-LLVKDONJSA-N
MW375.22 g/mol
LogP3.74
Rot. Bonds5

About (2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide

(2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide (PubChem CID 8978416) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is (2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
PubChem CID8978416
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name(2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
SMILESCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C17H15BrN2O3/c1-11(17(21)20-14-5-3-4-13(18)9-14)23-15-7-6-12(10-19)8-16(15)22-2/h3-9,11H,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyVVAIGAPPXSHLPY-LLVKDONJSA-N
XLogP3.74
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7757274
N-(3-bromophenyl)-2-(2-methoxyphenoxy)propanamide
CID 17252166
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide
CID 8978446
N-(3-chloro-4-methoxyphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 55422385
(2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7757420
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 7757378
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide
CID 8978421
(2R)-2-(2-chloro-4-cyanophenoxy)-N-(3-methylphenyl)propanamide
CID 8976723
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 16511712
(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1009322
(2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 7931796
N-[4-[(2R)-2-(4-cyano-2-methoxyphenoxy)propanoyl]phenyl]-2-methylpropanamide
CID 9459206

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide?
The IUPAC name of (2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide (CID 8978416) is (2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide?
The canonical SMILES for (2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide is COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of (2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide?
The InChIKey is VVAIGAPPXSHLPY-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-11(17(21)20-14-5-3-4-13(18)9-14)23-15-7-6-12(10-19)8-16(15)22-2/h3-9,11H,1-2H3,(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide?
(2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide has a molecular weight of 375.22 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide is sourced from PubChem (CID 8978416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).