2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide

C10H10F2INO — CID 14154832

IUPAC2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(F)(F)CI
InChIInChI=1S/C10H10F2INO/c1-7-4-2-3-5-8(7)14-9(15)10(11,12)6-13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyHCDLAWIJDWLUFA-UHFFFAOYSA-N
MW325.10 g/mol
LogP3.00
Rot. Bonds3

About 2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide

2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide (PubChem CID 14154832) has the molecular formula C10H10F2INO and a molecular weight of 325.10 g/mol. Its IUPAC name is 2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide
PubChem CID14154832
Molecular FormulaC10H10F2INO
Molecular Weight325.10 g/mol
Exact Mass324.98
IUPAC Name2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(F)(F)CI
InChIInChI=1S/C10H10F2INO/c1-7-4-2-3-5-8(7)14-9(15)10(11,12)6-13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyHCDLAWIJDWLUFA-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.10
LogP ≤ 53.00
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-fluoro-2-methyl-N-(2-methylphenyl)propanamide
CID 130165272
(2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide
CID 131850393
2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide
CID 102107595
2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide
CID 71672661
2-fluoro-2-methyl-3-(2-methylanilino)-3-oxopropanoic acid
CID 175308987
2-cyano-2-methyl-N-(2-methylphenyl)propanamide
CID 60778630
2-bromo-2-chloro-N-(2-methylphenyl)butanamide
CID 20511611
(2-methylphenyl)urea;phosphane
CID 175888509
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
N-(2-methylphenyl)-2-oxopropanamide
CID 82125210
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108967285

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide?
The IUPAC name of 2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide (CID 14154832) is 2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)C(F)(F)CI.
What is the InChIKey of 2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide?
The InChIKey is HCDLAWIJDWLUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2INO/c1-7-4-2-3-5-8(7)14-9(15)10(11,12)6-13/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide?
2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide has a molecular weight of 325.10 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 14154832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).