3-bromo-N-(4-fluoro-2-iodophenyl)prop-2-ynamide

C9H4BrFINO — CID 130731454

IUPAC3-bromo-N-(4-fluoro-2-iodophenyl)prop-2-ynamide
SMILESO=C(C#CBr)Nc1ccc(F)cc1I
InChIInChI=1S/C9H4BrFINO/c10-4-3-9(14)13-8-2-1-6(11)5-7(8)12/h1-2,5H,(H,13,14)
InChIKeyANUGMXQNDJGGKV-UHFFFAOYSA-N
MW367.94 g/mol
LogP2.72
Rot. Bonds1

About 3-bromo-N-(4-fluoro-2-iodophenyl)prop-2-ynamide

3-bromo-N-(4-fluoro-2-iodophenyl)prop-2-ynamide (PubChem CID 130731454) has the molecular formula C9H4BrFINO and a molecular weight of 367.94 g/mol. Its IUPAC name is 3-bromo-N-(4-fluoro-2-iodophenyl)prop-2-ynamide.

Molecular Properties

Compound Name3-bromo-N-(4-fluoro-2-iodophenyl)prop-2-ynamide
PubChem CID130731454
Molecular FormulaC9H4BrFINO
Molecular Weight367.94 g/mol
Exact Mass366.85
IUPAC Name3-bromo-N-(4-fluoro-2-iodophenyl)prop-2-ynamide
SMILESO=C(C#CBr)Nc1ccc(F)cc1I
InChIInChI=1S/C9H4BrFINO/c10-4-3-9(14)13-8-2-1-6(11)5-7(8)12/h1-2,5H,(H,13,14)
InChIKeyANUGMXQNDJGGKV-UHFFFAOYSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.94
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
N-(4-fluoro-2-iodophenyl)-4-iodobenzamide
CID 79767050
N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide
CID 79771427
4-[(4-fluoro-2-iodophenyl)carbamoylamino]butanoic acid
CID 79766348
N-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide
CID 79766642
2-(4-bromophenyl)-N-(4-fluoro-2-iodophenyl)acetamide
CID 79765971
N-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide
CID 79766212
N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide
CID 79758879
4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide
CID 79766480
N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide
CID 79767023
3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768442
N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide
CID 79766038

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-fluoro-2-iodophenyl)prop-2-ynamide?
The IUPAC name of 3-bromo-N-(4-fluoro-2-iodophenyl)prop-2-ynamide (CID 130731454) is 3-bromo-N-(4-fluoro-2-iodophenyl)prop-2-ynamide.
What is the SMILES notation for 3-bromo-N-(4-fluoro-2-iodophenyl)prop-2-ynamide?
The canonical SMILES for 3-bromo-N-(4-fluoro-2-iodophenyl)prop-2-ynamide is O=C(C#CBr)Nc1ccc(F)cc1I.
What is the InChIKey of 3-bromo-N-(4-fluoro-2-iodophenyl)prop-2-ynamide?
The InChIKey is ANUGMXQNDJGGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrFINO/c10-4-3-9(14)13-8-2-1-6(11)5-7(8)12/h1-2,5H,(H,13,14).
What are the key properties of 3-bromo-N-(4-fluoro-2-iodophenyl)prop-2-ynamide?
3-bromo-N-(4-fluoro-2-iodophenyl)prop-2-ynamide has a molecular weight of 367.94 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-fluoro-2-iodophenyl)prop-2-ynamide is sourced from PubChem (CID 130731454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).