N-but-2-ynyl-2-iodobenzamide

C11H10INO — CID 115866883

IUPACN-but-2-ynyl-2-iodobenzamide
SMILESCC#CCNC(=O)c1ccccc1I
InChIInChI=1S/C11H10INO/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12/h4-7H,8H2,1H3,(H,13,14)
InChIKeyQULRQVLLGSWIJF-UHFFFAOYSA-N
MW299.11 g/mol
LogP2.04
Rot. Bonds2

About N-but-2-ynyl-2-iodobenzamide

N-but-2-ynyl-2-iodobenzamide (PubChem CID 115866883) has the molecular formula C11H10INO and a molecular weight of 299.11 g/mol. Its IUPAC name is N-but-2-ynyl-2-iodobenzamide.

Molecular Properties

Compound NameN-but-2-ynyl-2-iodobenzamide
PubChem CID115866883
Molecular FormulaC11H10INO
Molecular Weight299.11 g/mol
Exact Mass298.98
IUPAC NameN-but-2-ynyl-2-iodobenzamide
SMILESCC#CCNC(=O)c1ccccc1I
InChIInChI=1S/C11H10INO/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12/h4-7H,8H2,1H3,(H,13,14)
InChIKeyQULRQVLLGSWIJF-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 52.04
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

2-iodo-N-prop-2-ynylbenzamide
CID 18110013
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-iodobenzamide
CID 90547862
N-but-2-ynyl-2-iodo-N-methylbenzamide
CID 14943568
N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide
CID 113342440
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate
CID 108571243
N-(3-acetamidopropyl)-2-iodobenzamide
CID 38450093
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
2-iodo-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576877
2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115581693
N-(3-chlorobutyl)-2-iodobenzamide
CID 114301785
2-iodo-N-pent-4-ynylbenzamide
CID 103709110

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-2-iodobenzamide?
The IUPAC name of N-but-2-ynyl-2-iodobenzamide (CID 115866883) is N-but-2-ynyl-2-iodobenzamide.
What is the SMILES notation for N-but-2-ynyl-2-iodobenzamide?
The canonical SMILES for N-but-2-ynyl-2-iodobenzamide is CC#CCNC(=O)c1ccccc1I.
What is the InChIKey of N-but-2-ynyl-2-iodobenzamide?
The InChIKey is QULRQVLLGSWIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INO/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12/h4-7H,8H2,1H3,(H,13,14).
What are the key properties of N-but-2-ynyl-2-iodobenzamide?
N-but-2-ynyl-2-iodobenzamide has a molecular weight of 299.11 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-2-iodobenzamide is sourced from PubChem (CID 115866883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).