N-but-3-yn-2-yl-3-iodobenzamide

C11H10INO — CID 114389760

IUPACN-but-3-yn-2-yl-3-iodobenzamide
SMILESC#CC(C)NC(=O)c1cccc(I)c1
InChIInChI=1S/C11H10INO/c1-3-8(2)13-11(14)9-5-4-6-10(12)7-9/h1,4-8H,2H3,(H,13,14)
InChIKeyWWQWCKIGQTWNRT-UHFFFAOYSA-N
MW299.11 g/mol
LogP2.04
Rot. Bonds2

About N-but-3-yn-2-yl-3-iodobenzamide

N-but-3-yn-2-yl-3-iodobenzamide (PubChem CID 114389760) has the molecular formula C11H10INO and a molecular weight of 299.11 g/mol. Its IUPAC name is N-but-3-yn-2-yl-3-iodobenzamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-3-iodobenzamide
PubChem CID114389760
Molecular FormulaC11H10INO
Molecular Weight299.11 g/mol
Exact Mass298.98
IUPAC NameN-but-3-yn-2-yl-3-iodobenzamide
SMILESC#CC(C)NC(=O)c1cccc(I)c1
InChIInChI=1S/C11H10INO/c1-3-8(2)13-11(14)9-5-4-6-10(12)7-9/h1,4-8H,2H3,(H,13,14)
InChIKeyWWQWCKIGQTWNRT-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

N-but-3-yn-2-yl-3-fluorobenzamide
CID 114389984
N-but-3-yn-2-yl-3-(trifluoromethyl)benzamide
CID 114389842
N-but-3-yn-2-yl-3-sulfamoylbenzamide
CID 114390083
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide
CID 130166251
3-iodo-N-pentan-2-ylbenzamide
CID 2886291
(2S)-2-[(3-iodobenzoyl)amino]-3-methylbutanoic acid
CID 28831811
3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 47315731
N-(1-aminopropan-2-yl)-3-iodobenzamide
CID 63733818
N-(1-chloropropan-2-yl)-3-iodobenzamide
CID 114299662
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
N-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide
CID 95356863
N-(4-chlorobutan-2-yl)-3-iodobenzamide
CID 83187759

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-3-iodobenzamide?
The IUPAC name of N-but-3-yn-2-yl-3-iodobenzamide (CID 114389760) is N-but-3-yn-2-yl-3-iodobenzamide.
What is the SMILES notation for N-but-3-yn-2-yl-3-iodobenzamide?
The canonical SMILES for N-but-3-yn-2-yl-3-iodobenzamide is C#CC(C)NC(=O)c1cccc(I)c1.
What is the InChIKey of N-but-3-yn-2-yl-3-iodobenzamide?
The InChIKey is WWQWCKIGQTWNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INO/c1-3-8(2)13-11(14)9-5-4-6-10(12)7-9/h1,4-8H,2H3,(H,13,14).
What are the key properties of N-but-3-yn-2-yl-3-iodobenzamide?
N-but-3-yn-2-yl-3-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-3-yn-2-yl-3-iodobenzamide is sourced from PubChem (CID 114389760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).