(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide

C10H11BrClNO — CID 94063637

IUPAC(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@H](C)Br
InChIInChI=1S/C10H11BrClNO/c1-6-3-4-8(12)5-9(6)13-10(14)7(2)11/h3-5,7H,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyUKEYXKCDUNMFNC-ZETCQYMHSA-N
MW276.56 g/mol
LogP3.37
Rot. Bonds2

About (2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide

(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide (PubChem CID 94063637) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is (2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
PubChem CID94063637
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@H](C)Br
InChIInChI=1S/C10H11BrClNO/c1-6-3-4-8(12)5-9(6)13-10(14)7(2)11/h3-5,7H,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyUKEYXKCDUNMFNC-ZETCQYMHSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 53.37
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-(2,5-dichlorophenyl)propanamide
CID 94831435
N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195653
2-bromo-N-(4-chloro-2-iodophenyl)propanamide
CID 107906024
2-(2-bromopropanoylamino)-4-chloro-N,N-dimethylbenzamide
CID 114014319
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396
(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 95077371
N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42939063
3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide
CID 106111180
4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46744939
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
(2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate
CID 7679282
(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 40742791

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide?
The IUPAC name of (2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide (CID 94063637) is (2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide is Cc1ccc(Cl)cc1NC(=O)[C@H](C)Br.
What is the InChIKey of (2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide?
The InChIKey is UKEYXKCDUNMFNC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-6-3-4-8(12)5-9(6)13-10(14)7(2)11/h3-5,7H,1-2H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide?
(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide has a molecular weight of 276.56 g/mol, XLogP of 3.37, 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-(5-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 94063637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).