N-(3-chlorophenyl)-2,2-difluoro-3-iodopropanamide

C9H7ClF2INO — CID 14154828

IUPACN-(3-chlorophenyl)-2,2-difluoro-3-iodopropanamide
SMILESO=C(Nc1cccc(Cl)c1)C(F)(F)CI
InChIInChI=1S/C9H7ClF2INO/c10-6-2-1-3-7(4-6)14-8(15)9(11,12)5-13/h1-4H,5H2,(H,14,15)
InChIKeyBZQYMHZOISFRPP-UHFFFAOYSA-N
MW345.51 g/mol
LogP3.35
Rot. Bonds3

About N-(3-chlorophenyl)-2,2-difluoro-3-iodopropanamide

N-(3-chlorophenyl)-2,2-difluoro-3-iodopropanamide (PubChem CID 14154828) has the molecular formula C9H7ClF2INO and a molecular weight of 345.51 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2,2-difluoro-3-iodopropanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2,2-difluoro-3-iodopropanamide
PubChem CID14154828
Molecular FormulaC9H7ClF2INO
Molecular Weight345.51 g/mol
Exact Mass344.92
IUPAC NameN-(3-chlorophenyl)-2,2-difluoro-3-iodopropanamide
SMILESO=C(Nc1cccc(Cl)c1)C(F)(F)CI
InChIInChI=1S/C9H7ClF2INO/c10-6-2-1-3-7(4-6)14-8(15)9(11,12)5-13/h1-4H,5H2,(H,14,15)
InChIKeyBZQYMHZOISFRPP-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 53.35
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

N-(3-chlorophenyl)-2,2-bis(trifluoromethyl)butanamide
CID 3326093
2-amino-N-(3-chlorophenyl)-2-ethylbutanamide
CID 79809226
N-(3-chlorophenyl)-3-iodopropanamide
CID 64788380
N-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide
CID 141336547
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967452
(Z)-3-(3-chloroanilino)-N-(3-chlorophenyl)-4,4,4-trifluorobut-2-enamide
CID 110272456
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
N-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide
CID 46571844
N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide
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(2S)-N-(3-chlorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide
CID 151044125
methyl N-(3-chlorophenyl)carbamate
CID 16529

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2,2-difluoro-3-iodopropanamide?
The IUPAC name of N-(3-chlorophenyl)-2,2-difluoro-3-iodopropanamide (CID 14154828) is N-(3-chlorophenyl)-2,2-difluoro-3-iodopropanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2,2-difluoro-3-iodopropanamide?
The canonical SMILES for N-(3-chlorophenyl)-2,2-difluoro-3-iodopropanamide is O=C(Nc1cccc(Cl)c1)C(F)(F)CI.
What is the InChIKey of N-(3-chlorophenyl)-2,2-difluoro-3-iodopropanamide?
The InChIKey is BZQYMHZOISFRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2INO/c10-6-2-1-3-7(4-6)14-8(15)9(11,12)5-13/h1-4H,5H2,(H,14,15).
What are the key properties of N-(3-chlorophenyl)-2,2-difluoro-3-iodopropanamide?
N-(3-chlorophenyl)-2,2-difluoro-3-iodopropanamide has a molecular weight of 345.51 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2,2-difluoro-3-iodopropanamide is sourced from PubChem (CID 14154828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).