2-chloro-3-(2,4,6-tribromophenyl)propanamide

C9H7Br3ClNO — CID 104513227

IUPAC2-chloro-3-(2,4,6-tribromophenyl)propanamide
SMILESNC(=O)C(Cl)Cc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C9H7Br3ClNO/c10-4-1-6(11)5(7(12)2-4)3-8(13)9(14)15/h1-2,8H,3H2,(H2,14,15)
InChIKeyWFIIXQSJIFRWNV-UHFFFAOYSA-N
MW420.33 g/mol
LogP3.61
Rot. Bonds3

About 2-chloro-3-(2,4,6-tribromophenyl)propanamide

2-chloro-3-(2,4,6-tribromophenyl)propanamide (PubChem CID 104513227) has the molecular formula C9H7Br3ClNO and a molecular weight of 420.33 g/mol. Its IUPAC name is 2-chloro-3-(2,4,6-tribromophenyl)propanamide.

Molecular Properties

Compound Name2-chloro-3-(2,4,6-tribromophenyl)propanamide
PubChem CID104513227
Molecular FormulaC9H7Br3ClNO
Molecular Weight420.33 g/mol
Exact Mass416.78
IUPAC Name2-chloro-3-(2,4,6-tribromophenyl)propanamide
SMILESNC(=O)C(Cl)Cc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C9H7Br3ClNO/c10-4-1-6(11)5(7(12)2-4)3-8(13)9(14)15/h1-2,8H,3H2,(H2,14,15)
InChIKeyWFIIXQSJIFRWNV-UHFFFAOYSA-N
XLogP3.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.33
LogP ≤ 53.61
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

3-(5-bromo-3-pyridinyl)-2-chloropropanamide
CID 130486994
(2,4,6-tribromophenyl) 2,2-dichloroacetate
CID 14365696
2-bromo-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide
CID 107616981
(2S)-2-amino-3-(2,3,5-tribromophenyl)propanoic acid
CID 131862569
2-chloro-3-(2,4-dichlorophenyl)propanamide
CID 82054649
2-chloro-3-(2-chloro-5-methylphenyl)propanamide
CID 107627819
(2,4,6-tribromophenyl)urea
CID 28991940
ethyl 2-[2,4-dibromo-6-(chloromethyl)phenyl]acetate
CID 171005972
4-(3-bromo-4-methylphenyl)-3-chlorobutan-2-one
CID 82054755
2-(2,4-dibromo-6-chlorophenoxy)acetamide
CID 91674426
2-(2,6-diamino-4-bromophenyl)acetic acid
CID 171014717
2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
CID 104513169

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2,4,6-tribromophenyl)propanamide?
The IUPAC name of 2-chloro-3-(2,4,6-tribromophenyl)propanamide (CID 104513227) is 2-chloro-3-(2,4,6-tribromophenyl)propanamide.
What is the SMILES notation for 2-chloro-3-(2,4,6-tribromophenyl)propanamide?
The canonical SMILES for 2-chloro-3-(2,4,6-tribromophenyl)propanamide is NC(=O)C(Cl)Cc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2-chloro-3-(2,4,6-tribromophenyl)propanamide?
The InChIKey is WFIIXQSJIFRWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br3ClNO/c10-4-1-6(11)5(7(12)2-4)3-8(13)9(14)15/h1-2,8H,3H2,(H2,14,15).
What are the key properties of 2-chloro-3-(2,4,6-tribromophenyl)propanamide?
2-chloro-3-(2,4,6-tribromophenyl)propanamide has a molecular weight of 420.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2,4,6-tribromophenyl)propanamide is sourced from PubChem (CID 104513227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).