(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide

C9H8BrCl2NO — CID 94831435

IUPAC(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
SMILESC[C@H](Br)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H8BrCl2NO/c1-5(10)9(14)13-8-4-6(11)2-3-7(8)12/h2-5H,1H3,(H,13,14)/t5-/m0/s1
InChIKeyLCHCVEXHWWFVNH-YFKPBYRVSA-N
MW296.98 g/mol
LogP3.72
Rot. Bonds2

About (2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide

(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide (PubChem CID 94831435) has the molecular formula C9H8BrCl2NO and a molecular weight of 296.98 g/mol. Its IUPAC name is (2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
PubChem CID94831435
Molecular FormulaC9H8BrCl2NO
Molecular Weight296.98 g/mol
Exact Mass294.92
IUPAC Name(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
SMILESC[C@H](Br)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H8BrCl2NO/c1-5(10)9(14)13-8-4-6(11)2-3-7(8)12/h2-5H,1H3,(H,13,14)/t5-/m0/s1
InChIKeyLCHCVEXHWWFVNH-YFKPBYRVSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.98
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
CID 94063637
2-bromo-N-(4-chloro-2-iodophenyl)propanamide
CID 107906024
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide
CID 107902980
2-(2-bromopropanoylamino)-4-chloro-N,N-dimethylbenzamide
CID 114014319
2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide
CID 142639963
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide
CID 43145990
1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
CID 64994195
N-(2,5-dichlorophenyl)-2-(2-hydroxyethylamino)propanamide
CID 82358493
N-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide
CID 55315484
N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide
CID 2988512
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide?
The IUPAC name of (2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide (CID 94831435) is (2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide?
The canonical SMILES for (2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide is C[C@H](Br)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide?
The InChIKey is LCHCVEXHWWFVNH-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H8BrCl2NO/c1-5(10)9(14)13-8-4-6(11)2-3-7(8)12/h2-5H,1H3,(H,13,14)/t5-/m0/s1.
What are the key properties of (2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide?
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide has a molecular weight of 296.98 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide is sourced from PubChem (CID 94831435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).