(2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide

C16H14BrCl2NO2 — CID 7917269

IUPAC(2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide
SMILESCc1cc(Br)cc(Cl)c1O[C@@H](C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H14BrCl2NO2/c1-9-6-11(17)7-14(19)15(9)22-10(2)16(21)20-13-5-3-4-12(18)8-13/h3-8,10H,1-2H3,(H,20,21)/t10-/m0/s1
InChIKeyIZUUHYHCNNMWIA-JTQLQIEISA-N
MW403.10 g/mol
LogP5.47
Rot. Bonds4

About (2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide

(2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide (PubChem CID 7917269) has the molecular formula C16H14BrCl2NO2 and a molecular weight of 403.10 g/mol. Its IUPAC name is (2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide
PubChem CID7917269
Molecular FormulaC16H14BrCl2NO2
Molecular Weight403.10 g/mol
Exact Mass400.96
IUPAC Name(2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide
SMILESCc1cc(Br)cc(Cl)c1O[C@@H](C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H14BrCl2NO2/c1-9-6-11(17)7-14(19)15(9)22-10(2)16(21)20-13-5-3-4-12(18)8-13/h3-8,10H,1-2H3,(H,20,21)/t10-/m0/s1
InChIKeyIZUUHYHCNNMWIA-JTQLQIEISA-N
XLogP5.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.10
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 46761926
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
CID 17233132
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1009322
N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 4960935
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
(2S)-N-(3,5-dichlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297257
(2R)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94016158

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide?
The IUPAC name of (2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide (CID 7917269) is (2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide?
The canonical SMILES for (2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide is Cc1cc(Br)cc(Cl)c1O[C@@H](C)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide?
The InChIKey is IZUUHYHCNNMWIA-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14BrCl2NO2/c1-9-6-11(17)7-14(19)15(9)22-10(2)16(21)20-13-5-3-4-12(18)8-13/h3-8,10H,1-2H3,(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide?
(2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide has a molecular weight of 403.10 g/mol, XLogP of 5.47, 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-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 7917269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).