N-but-2-ynyl-N-(2-iodophenyl)benzamide

C17H14INO — CID 14943562

IUPACN-but-2-ynyl-N-(2-iodophenyl)benzamide
SMILESCC#CCN(C(=O)c1ccccc1)c1ccccc1I
InChIInChI=1S/C17H14INO/c1-2-3-13-19(16-12-8-7-11-15(16)18)17(20)14-9-5-4-6-10-14/h4-12H,13H2,1H3
InChIKeyYSHIIDVGENUBGS-UHFFFAOYSA-N
MW375.21 g/mol
LogP3.96
Rot. Bonds3

About N-but-2-ynyl-N-(2-iodophenyl)benzamide

N-but-2-ynyl-N-(2-iodophenyl)benzamide (PubChem CID 14943562) has the molecular formula C17H14INO and a molecular weight of 375.21 g/mol. Its IUPAC name is N-but-2-ynyl-N-(2-iodophenyl)benzamide.

Molecular Properties

Compound NameN-but-2-ynyl-N-(2-iodophenyl)benzamide
PubChem CID14943562
Molecular FormulaC17H14INO
Molecular Weight375.21 g/mol
Exact Mass375.01
IUPAC NameN-but-2-ynyl-N-(2-iodophenyl)benzamide
SMILESCC#CCN(C(=O)c1ccccc1)c1ccccc1I
InChIInChI=1S/C17H14INO/c1-2-3-13-19(16-12-8-7-11-15(16)18)17(20)14-9-5-4-6-10-14/h4-12H,13H2,1H3
InChIKeyYSHIIDVGENUBGS-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 53.96
H-Bond Donors ≤ 50
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-hydroxy-N-(2-iodophenyl)benzamide
CID 13226844
N-but-2-ynyl-2-iodo-N-methylbenzamide
CID 14943568
N-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide
CID 134974389
N-(2-bromoprop-2-enyl)-N-but-2-ynylbenzamide
CID 11098300
N-but-2-ynyl-2-iodobenzamide
CID 115866883
N-(2-chlorophenyl)-N-(cyanomethyl)benzamide
CID 10588153
N-but-2-ynyl-N-(2-iodophenyl)-2,4,6-trimethylaniline
CID 102209101
(2-iodophenyl)-[(2S)-2-methoxypropyl]carbamic acid
CID 90422752
N-(2-hydroxyethyl)-N-(2-methylphenyl)benzamide
CID 91188754
N-cyclopropyl-N-pent-3-ynylbenzamide
CID 76764593
N-(2-iodophenyl)-N-methyl-2-phenylprop-2-enamide
CID 122384711
N-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide
CID 165178394

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-N-(2-iodophenyl)benzamide?
The IUPAC name of N-but-2-ynyl-N-(2-iodophenyl)benzamide (CID 14943562) is N-but-2-ynyl-N-(2-iodophenyl)benzamide.
What is the SMILES notation for N-but-2-ynyl-N-(2-iodophenyl)benzamide?
The canonical SMILES for N-but-2-ynyl-N-(2-iodophenyl)benzamide is CC#CCN(C(=O)c1ccccc1)c1ccccc1I.
What is the InChIKey of N-but-2-ynyl-N-(2-iodophenyl)benzamide?
The InChIKey is YSHIIDVGENUBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14INO/c1-2-3-13-19(16-12-8-7-11-15(16)18)17(20)14-9-5-4-6-10-14/h4-12H,13H2,1H3.
What are the key properties of N-but-2-ynyl-N-(2-iodophenyl)benzamide?
N-but-2-ynyl-N-(2-iodophenyl)benzamide has a molecular weight of 375.21 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-N-(2-iodophenyl)benzamide is sourced from PubChem (CID 14943562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).