2-bromo-3-(2-chloro-4-methylphenyl)propanamide

C10H11BrClNO — CID 104512971

IUPAC2-bromo-3-(2-chloro-4-methylphenyl)propanamide
SMILESCc1ccc(CC(Br)C(N)=O)c(Cl)c1
InChIInChI=1S/C10H11BrClNO/c1-6-2-3-7(9(12)4-6)5-8(11)10(13)14/h2-4,8H,5H2,1H3,(H2,13,14)
InChIKeyXQNCYFPRVCMYIB-UHFFFAOYSA-N
MW276.56 g/mol
LogP2.44
Rot. Bonds3

About 2-bromo-3-(2-chloro-4-methylphenyl)propanamide

2-bromo-3-(2-chloro-4-methylphenyl)propanamide (PubChem CID 104512971) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 2-bromo-3-(2-chloro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-bromo-3-(2-chloro-4-methylphenyl)propanamide
PubChem CID104512971
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name2-bromo-3-(2-chloro-4-methylphenyl)propanamide
SMILESCc1ccc(CC(Br)C(N)=O)c(Cl)c1
InChIInChI=1S/C10H11BrClNO/c1-6-2-3-7(9(12)4-6)5-8(11)10(13)14/h2-4,8H,5H2,1H3,(H2,13,14)
InChIKeyXQNCYFPRVCMYIB-UHFFFAOYSA-N
XLogP2.44
TPSA43.09 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 ≤ 52.44
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

2-bromo-3-(2-chloro-4-cyanophenyl)propanamide
CID 107810355
(2S)-2-amino-3-(2-chloro-4-methylphenyl)propanoic acid;hydrochloride
CID 155822679
ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate
CID 106866425
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
CID 106870188
2-chloro-3-(2-chloro-5-methylphenyl)propanamide
CID 107627819
ethyl 3-(2-chloro-4-methylphenyl)-2-cyanopropanoate
CID 106865462
2-(2-chloro-4-methylphenyl)ethanethioamide
CID 106863362
1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride
CID 162376791
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid
CID 107440608

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(2-chloro-4-methylphenyl)propanamide?
The IUPAC name of 2-bromo-3-(2-chloro-4-methylphenyl)propanamide (CID 104512971) is 2-bromo-3-(2-chloro-4-methylphenyl)propanamide.
What is the SMILES notation for 2-bromo-3-(2-chloro-4-methylphenyl)propanamide?
The canonical SMILES for 2-bromo-3-(2-chloro-4-methylphenyl)propanamide is Cc1ccc(CC(Br)C(N)=O)c(Cl)c1.
What is the InChIKey of 2-bromo-3-(2-chloro-4-methylphenyl)propanamide?
The InChIKey is XQNCYFPRVCMYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-6-2-3-7(9(12)4-6)5-8(11)10(13)14/h2-4,8H,5H2,1H3,(H2,13,14).
What are the key properties of 2-bromo-3-(2-chloro-4-methylphenyl)propanamide?
2-bromo-3-(2-chloro-4-methylphenyl)propanamide has a molecular weight of 276.56 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(2-chloro-4-methylphenyl)propanamide is sourced from PubChem (CID 104512971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).