3-bromo-N-(4-chloro-3-methylphenyl)propanamide

C10H11BrClNO — CID 82110631

IUPAC3-bromo-N-(4-chloro-3-methylphenyl)propanamide
SMILESCc1cc(NC(=O)CCBr)ccc1Cl
InChIInChI=1S/C10H11BrClNO/c1-7-6-8(2-3-9(7)12)13-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyDSOXKIHLFCFPFN-UHFFFAOYSA-N
MW276.56 g/mol
LogP3.37
Rot. Bonds3

About 3-bromo-N-(4-chloro-3-methylphenyl)propanamide

3-bromo-N-(4-chloro-3-methylphenyl)propanamide (PubChem CID 82110631) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 3-bromo-N-(4-chloro-3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-bromo-N-(4-chloro-3-methylphenyl)propanamide
PubChem CID82110631
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name3-bromo-N-(4-chloro-3-methylphenyl)propanamide
SMILESCc1cc(NC(=O)CCBr)ccc1Cl
InChIInChI=1S/C10H11BrClNO/c1-7-6-8(2-3-9(7)12)13-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyDSOXKIHLFCFPFN-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

(2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 58619258
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
methyl N-(4-chloro-3-methylphenyl)carbamate
CID 67274830
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
3-bromo-N-(3,5-dichlorophenyl)propanamide
CID 112698581
N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 126184527
N-(3-acetamidophenyl)-3-bromopropanamide
CID 115571578
N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796648
tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate
CID 134311773
ethyl 2-(4-chloro-3-methylanilino)-2-oxoacetate
CID 121223568
N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide
CID 45032288
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chloro-3-methylphenyl)propanamide?
The IUPAC name of 3-bromo-N-(4-chloro-3-methylphenyl)propanamide (CID 82110631) is 3-bromo-N-(4-chloro-3-methylphenyl)propanamide.
What is the SMILES notation for 3-bromo-N-(4-chloro-3-methylphenyl)propanamide?
The canonical SMILES for 3-bromo-N-(4-chloro-3-methylphenyl)propanamide is Cc1cc(NC(=O)CCBr)ccc1Cl.
What is the InChIKey of 3-bromo-N-(4-chloro-3-methylphenyl)propanamide?
The InChIKey is DSOXKIHLFCFPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-7-6-8(2-3-9(7)12)13-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 3-bromo-N-(4-chloro-3-methylphenyl)propanamide?
3-bromo-N-(4-chloro-3-methylphenyl)propanamide has a molecular weight of 276.56 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-chloro-3-methylphenyl)propanamide is sourced from PubChem (CID 82110631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).