2-bromo-N-(2-chloro-4-iodophenyl)propanamide

C9H8BrClINO — CID 107903978

IUPAC2-bromo-N-(2-chloro-4-iodophenyl)propanamide
SMILESCC(Br)C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C9H8BrClINO/c1-5(10)9(14)13-8-3-2-6(12)4-7(8)11/h2-5H,1H3,(H,13,14)
InChIKeyCWDOUAGPHGCOFS-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.67
Rot. Bonds2

About 2-bromo-N-(2-chloro-4-iodophenyl)propanamide

2-bromo-N-(2-chloro-4-iodophenyl)propanamide (PubChem CID 107903978) has the molecular formula C9H8BrClINO and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-4-iodophenyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-4-iodophenyl)propanamide
PubChem CID107903978
Molecular FormulaC9H8BrClINO
Molecular Weight388.43 g/mol
Exact Mass386.85
IUPAC Name2-bromo-N-(2-chloro-4-iodophenyl)propanamide
SMILESCC(Br)C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C9H8BrClINO/c1-5(10)9(14)13-8-3-2-6(12)4-7(8)11/h2-5H,1H3,(H,13,14)
InChIKeyCWDOUAGPHGCOFS-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea
CID 47202224
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
2-bromo-N-(4-chloro-2-iodophenyl)propanamide
CID 107906024
1-amino-3-(2-chloro-4-iodophenyl)urea
CID 107605938
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
(2R)-2-amino-N-(2-chloro-4-iodophenyl)-2-phenylacetamide
CID 61180487
2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide
CID 107471421
2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide
CID 43713313
2-carbamothioyl-N-(2-chloro-4-iodophenyl)pentanamide
CID 107605669
2-chloro-N-(2-chloro-4-iodophenyl)acetamide
CID 43701527
4-bromo-N-(2-chloro-4-iodophenyl)benzamide
CID 47183104
(2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide
CID 130498897

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-4-iodophenyl)propanamide?
The IUPAC name of 2-bromo-N-(2-chloro-4-iodophenyl)propanamide (CID 107903978) is 2-bromo-N-(2-chloro-4-iodophenyl)propanamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-4-iodophenyl)propanamide?
The canonical SMILES for 2-bromo-N-(2-chloro-4-iodophenyl)propanamide is CC(Br)C(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of 2-bromo-N-(2-chloro-4-iodophenyl)propanamide?
The InChIKey is CWDOUAGPHGCOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClINO/c1-5(10)9(14)13-8-3-2-6(12)4-7(8)11/h2-5H,1H3,(H,13,14).
What are the key properties of 2-bromo-N-(2-chloro-4-iodophenyl)propanamide?
2-bromo-N-(2-chloro-4-iodophenyl)propanamide has a molecular weight of 388.43 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-4-iodophenyl)propanamide is sourced from PubChem (CID 107903978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).