N-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide

C9H7BrF2INO — CID 130987362

IUPACN-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)Nc1cc(I)ccc1Br
InChIInChI=1S/C9H7BrF2INO/c1-9(11,12)8(15)14-7-4-5(13)2-3-6(7)10/h2-4H,1H3,(H,14,15)
InChIKeyPMOONQFVDQWADI-UHFFFAOYSA-N
MW389.97 g/mol
LogP3.65
Rot. Bonds2

About N-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide

N-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide (PubChem CID 130987362) has the molecular formula C9H7BrF2INO and a molecular weight of 389.97 g/mol. Its IUPAC name is N-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide
PubChem CID130987362
Molecular FormulaC9H7BrF2INO
Molecular Weight389.97 g/mol
Exact Mass388.87
IUPAC NameN-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)Nc1cc(I)ccc1Br
InChIInChI=1S/C9H7BrF2INO/c1-9(11,12)8(15)14-7-4-5(13)2-3-6(7)10/h2-4H,1H3,(H,14,15)
InChIKeyPMOONQFVDQWADI-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.97
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 114259830
N-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide
CID 130674064
2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide
CID 114259858
2-[(2-bromo-5-iodophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 114260774
N-(2-bromo-5-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113249343
N-(2-bromo-5-iodophenyl)-2,4-difluorobenzamide
CID 113230989
N-(2-bromo-5-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 103430310
3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-bromobenzoic acid
CID 107813530
N-(2-bromo-5-fluorophenyl)-2-methyl-2-(methylamino)propanamide
CID 107625596
2-bromo-N-ethyl-5-iodoaniline
CID 130498441
2-(2-bromo-5-iodoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 113231069
(2R)-2-[(2-bromo-5-iodophenyl)carbamoylamino]butanoic acid
CID 114260779

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide?
The IUPAC name of N-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide (CID 130987362) is N-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide.
What is the SMILES notation for N-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide?
The canonical SMILES for N-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide is CC(F)(F)C(=O)Nc1cc(I)ccc1Br.
What is the InChIKey of N-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide?
The InChIKey is PMOONQFVDQWADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2INO/c1-9(11,12)8(15)14-7-4-5(13)2-3-6(7)10/h2-4H,1H3,(H,14,15).
What are the key properties of N-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide?
N-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide has a molecular weight of 389.97 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide is sourced from PubChem (CID 130987362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).