2-chloro-3-(4-fluoro-2-iodophenyl)propanamide

C9H8ClFINO — CID 104513260

IUPAC2-chloro-3-(4-fluoro-2-iodophenyl)propanamide
SMILESNC(=O)C(Cl)Cc1ccc(F)cc1I
InChIInChI=1S/C9H8ClFINO/c10-7(9(13)14)3-5-1-2-6(11)4-8(5)12/h1-2,4,7H,3H2,(H2,13,14)
InChIKeyRGNKAPMXFPTABL-UHFFFAOYSA-N
MW327.52 g/mol
LogP2.07
Rot. Bonds3

About 2-chloro-3-(4-fluoro-2-iodophenyl)propanamide

2-chloro-3-(4-fluoro-2-iodophenyl)propanamide (PubChem CID 104513260) has the molecular formula C9H8ClFINO and a molecular weight of 327.52 g/mol. Its IUPAC name is 2-chloro-3-(4-fluoro-2-iodophenyl)propanamide.

Molecular Properties

Compound Name2-chloro-3-(4-fluoro-2-iodophenyl)propanamide
PubChem CID104513260
Molecular FormulaC9H8ClFINO
Molecular Weight327.52 g/mol
Exact Mass326.93
IUPAC Name2-chloro-3-(4-fluoro-2-iodophenyl)propanamide
SMILESNC(=O)C(Cl)Cc1ccc(F)cc1I
InChIInChI=1S/C9H8ClFINO/c10-7(9(13)14)3-5-1-2-6(11)4-8(5)12/h1-2,4,7H,3H2,(H2,13,14)
InChIKeyRGNKAPMXFPTABL-UHFFFAOYSA-N
XLogP2.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 52.07
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

2-chloro-3-(5-fluoro-2-nitrophenyl)propanamide
CID 104513275
2-chloro-3-(2,4-dichlorophenyl)propanamide
CID 82054649
2-bromo-1-(4-fluoro-2-iodophenyl)hexan-3-one
CID 79771799
(4-fluoro-2-iodophenyl)methanamine
CID 21069911
2-bromo-3-(2,4-difluorophenyl)propanamide
CID 104512951
2-chloro-3-(2-chloro-5-methylphenyl)propanamide
CID 107627819
4-(4-fluoro-2-iodophenyl)butan-2-amine
CID 130054391
CID 155601387
CID 155601387
2-bromo-3-(5-fluoro-2-methylphenyl)propanamide
CID 104512974
2-chloro-3-(4-methoxy-2-nitrophenyl)propanamide
CID 104513136
CID 6330703
CID 6330703
2-[5-fluoro-2-(iodomethyl)phenyl]acetic acid
CID 91883853

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-fluoro-2-iodophenyl)propanamide?
The IUPAC name of 2-chloro-3-(4-fluoro-2-iodophenyl)propanamide (CID 104513260) is 2-chloro-3-(4-fluoro-2-iodophenyl)propanamide.
What is the SMILES notation for 2-chloro-3-(4-fluoro-2-iodophenyl)propanamide?
The canonical SMILES for 2-chloro-3-(4-fluoro-2-iodophenyl)propanamide is NC(=O)C(Cl)Cc1ccc(F)cc1I.
What is the InChIKey of 2-chloro-3-(4-fluoro-2-iodophenyl)propanamide?
The InChIKey is RGNKAPMXFPTABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFINO/c10-7(9(13)14)3-5-1-2-6(11)4-8(5)12/h1-2,4,7H,3H2,(H2,13,14).
What are the key properties of 2-chloro-3-(4-fluoro-2-iodophenyl)propanamide?
2-chloro-3-(4-fluoro-2-iodophenyl)propanamide has a molecular weight of 327.52 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-fluoro-2-iodophenyl)propanamide is sourced from PubChem (CID 104513260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).