N-(3-ethynylphenyl)-2-iodobenzamide

C15H10INO — CID 24676235

IUPACN-(3-ethynylphenyl)-2-iodobenzamide
SMILESC#Cc1cccc(NC(=O)c2ccccc2I)c1
InChIInChI=1S/C15H10INO/c1-2-11-6-5-7-12(10-11)17-15(18)13-8-3-4-9-14(13)16/h1,3-10H,(H,17,18)
InChIKeyLRXOUBSYHQLSDM-UHFFFAOYSA-N
MW347.16 g/mol
LogP3.52
Rot. Bonds2

About N-(3-ethynylphenyl)-2-iodobenzamide

N-(3-ethynylphenyl)-2-iodobenzamide (PubChem CID 24676235) has the molecular formula C15H10INO and a molecular weight of 347.16 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-2-iodobenzamide
PubChem CID24676235
Molecular FormulaC15H10INO
Molecular Weight347.16 g/mol
Exact Mass346.98
IUPAC NameN-(3-ethynylphenyl)-2-iodobenzamide
SMILESC#Cc1cccc(NC(=O)c2ccccc2I)c1
InChIInChI=1S/C15H10INO/c1-2-11-6-5-7-12(10-11)17-15(18)13-8-3-4-9-14(13)16/h1,3-10H,(H,17,18)
InChIKeyLRXOUBSYHQLSDM-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 53.52
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-benzamido-N-(3-ethynylphenyl)benzamide
CID 43050120
N-(3-ethynylphenyl)-2,3-dihydroxybenzamide
CID 114343731
N-(3-ethynylphenyl)-2-methylsulfanylbenzamide
CID 24676261
1-N,3-N,5-N-tris(3-ethynylphenyl)benzene-1,3,5-tricarboxamide
CID 155264054
4,6-bis[(3-ethynylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;4,6-bis[(4-ethynylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;2,5-bis[(3-ethynylphenyl)carbamoyl]terephthalic acid;2,5-bis[(4-ethynylphenyl)carbamoyl]terephthalic acid;4-[(3-ethynylphenyl)carbamoyl]-6-[(4-ethynylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;2-[(3-ethynylphenyl)carbamoyl]-5-[(4-ethynylphenyl)carbamoyl]terephthalic acid
CID 158130623
N-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide
CID 24676287
2,4-diamino-N-(3-ethynylphenyl)benzamide
CID 61117104
N-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide
CID 79532349
2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide
CID 60729880
2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide
CID 60732619
N-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide
CID 64955247
5-amino-N-(3-ethynylphenyl)-2-fluorobenzamide
CID 61118264

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-2-iodobenzamide?
The IUPAC name of N-(3-ethynylphenyl)-2-iodobenzamide (CID 24676235) is N-(3-ethynylphenyl)-2-iodobenzamide.
What is the SMILES notation for N-(3-ethynylphenyl)-2-iodobenzamide?
The canonical SMILES for N-(3-ethynylphenyl)-2-iodobenzamide is C#Cc1cccc(NC(=O)c2ccccc2I)c1.
What is the InChIKey of N-(3-ethynylphenyl)-2-iodobenzamide?
The InChIKey is LRXOUBSYHQLSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10INO/c1-2-11-6-5-7-12(10-11)17-15(18)13-8-3-4-9-14(13)16/h1,3-10H,(H,17,18).
What are the key properties of N-(3-ethynylphenyl)-2-iodobenzamide?
N-(3-ethynylphenyl)-2-iodobenzamide has a molecular weight of 347.16 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-2-iodobenzamide is sourced from PubChem (CID 24676235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).