(2S)-2-(4-bromo-2-fluorophenoxy)-N-(3-methylphenyl)propanamide

C16H15BrFNO2 — CID 7695759

IUPAC(2S)-2-(4-bromo-2-fluorophenoxy)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2F)c1
InChIInChI=1S/C16H15BrFNO2/c1-10-4-3-5-13(8-10)19-16(20)11(2)21-15-7-6-12(17)9-14(15)18/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyLJELPLALUUHQOA-NSHDSACASA-N
MW352.20 g/mol
LogP4.30
Rot. Bonds4

About (2S)-2-(4-bromo-2-fluorophenoxy)-N-(3-methylphenyl)propanamide

(2S)-2-(4-bromo-2-fluorophenoxy)-N-(3-methylphenyl)propanamide (PubChem CID 7695759) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is (2S)-2-(4-bromo-2-fluorophenoxy)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromo-2-fluorophenoxy)-N-(3-methylphenyl)propanamide
PubChem CID7695759
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name(2S)-2-(4-bromo-2-fluorophenoxy)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2F)c1
InChIInChI=1S/C16H15BrFNO2/c1-10-4-3-5-13(8-10)19-16(20)11(2)21-15-7-6-12(17)9-14(15)18/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyLJELPLALUUHQOA-NSHDSACASA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(4-bromo-2-fluorophenoxy)-N-(3-methylphenyl)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

(2S)-N-(3-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522807
(2S)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837580
(2R)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837579
(2R)-2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)propanamide
CID 2164297
(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 7500220
(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1009322
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
(2S)-N-(2-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 8730300
2-(2,4-dichloro-3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 15917901
(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 8958051

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromo-2-fluorophenoxy)-N-(3-methylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-bromo-2-fluorophenoxy)-N-(3-methylphenyl)propanamide (CID 7695759) is (2S)-2-(4-bromo-2-fluorophenoxy)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-bromo-2-fluorophenoxy)-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-bromo-2-fluorophenoxy)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2F)c1.
What is the InChIKey of (2S)-2-(4-bromo-2-fluorophenoxy)-N-(3-methylphenyl)propanamide?
The InChIKey is LJELPLALUUHQOA-NSHDSACASA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-10-4-3-5-13(8-10)19-16(20)11(2)21-15-7-6-12(17)9-14(15)18/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-bromo-2-fluorophenoxy)-N-(3-methylphenyl)propanamide?
(2S)-2-(4-bromo-2-fluorophenoxy)-N-(3-methylphenyl)propanamide has a molecular weight of 352.20 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromo-2-fluorophenoxy)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 7695759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).