N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide

C11H10FIN2O — CID 79767023

IUPACN-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C11H10FIN2O/c1-2-5-14-7-11(16)15-10-4-3-8(12)6-9(10)13/h1,3-4,6,14H,5,7H2,(H,15,16)
InChIKeySNBAVMIJHQSTLE-UHFFFAOYSA-N
MW332.12 g/mol
LogP1.59
Rot. Bonds4

About N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide

N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79767023) has the molecular formula C11H10FIN2O and a molecular weight of 332.12 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide
PubChem CID79767023
Molecular FormulaC11H10FIN2O
Molecular Weight332.12 g/mol
Exact Mass331.98
IUPAC NameN-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C11H10FIN2O/c1-2-5-14-7-11(16)15-10-4-3-8(12)6-9(10)13/h1,3-4,6,14H,5,7H2,(H,15,16)
InChIKeySNBAVMIJHQSTLE-UHFFFAOYSA-N
XLogP1.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908681
N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79766531
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 28563124
N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide
CID 79771427
5-iodo-2-[[2-(prop-2-ynylamino)acetyl]amino]benzoic acid
CID 79271990
N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide
CID 79766482
N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide
CID 79766038
4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide
CID 79766480
1-(4-fluoro-2-methylphenyl)-2-(prop-2-ynylamino)ethanone
CID 116589629
N-(4-fluoro-2-iodophenyl)-2-(2-methoxyethoxy)acetamide
CID 103737178
N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide
CID 112722691
2-(4-bromophenyl)-N-(4-fluoro-2-iodophenyl)acetamide
CID 79765971

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide (CID 79767023) is N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1ccc(F)cc1I.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is SNBAVMIJHQSTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FIN2O/c1-2-5-14-7-11(16)15-10-4-3-8(12)6-9(10)13/h1,3-4,6,14H,5,7H2,(H,15,16).
What are the key properties of N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide?
N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 332.12 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79767023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).