N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide

C9H5ClF4INO — CID 103766915

IUPACN-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(Nc1ccc(Cl)cc1I)C(F)(F)C(F)F
InChIInChI=1S/C9H5ClF4INO/c10-4-1-2-6(5(15)3-4)16-8(17)9(13,14)7(11)12/h1-3,7H,(H,16,17)
InChIKeyLSKDCAAXTCYGOV-UHFFFAOYSA-N
MW381.49 g/mol
LogP3.78
Rot. Bonds3

About N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide

N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103766915) has the molecular formula C9H5ClF4INO and a molecular weight of 381.49 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103766915
Molecular FormulaC9H5ClF4INO
Molecular Weight381.49 g/mol
Exact Mass380.90
IUPAC NameN-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(Nc1ccc(Cl)cc1I)C(F)(F)C(F)F
InChIInChI=1S/C9H5ClF4INO/c10-4-1-2-6(5(15)3-4)16-8(17)9(13,14)7(11)12/h1-3,7H,(H,16,17)
InChIKeyLSKDCAAXTCYGOV-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107624939
2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107625511
N-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 114032415
N-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide
CID 103766777
N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 87693092
2,2,3,3-tetrafluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide
CID 103733506
N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 113250773
2-chloro-N-(4-chloro-2-iodophenyl)propanamide
CID 103881715
N-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103769557
methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
1-amino-3-(4-chloro-2-iodophenyl)urea
CID 107629399

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide (CID 103766915) is N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide is O=C(Nc1ccc(Cl)cc1I)C(F)(F)C(F)F.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is LSKDCAAXTCYGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF4INO/c10-4-1-2-6(5(15)3-4)16-8(17)9(13,14)7(11)12/h1-3,7H,(H,16,17).
What are the key properties of N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide?
N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 381.49 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103766915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).