2-iodo-N-prop-2-ynylbenzamide

C10H8INO — CID 18110013

IUPAC2-iodo-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccccc1I
InChIInChI=1S/C10H8INO/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h1,3-6H,7H2,(H,12,13)
InChIKeyOGHCQJPNXZXOJF-UHFFFAOYSA-N
MW285.08 g/mol
LogP1.65
Rot. Bonds2

About 2-iodo-N-prop-2-ynylbenzamide

2-iodo-N-prop-2-ynylbenzamide (PubChem CID 18110013) has the molecular formula C10H8INO and a molecular weight of 285.08 g/mol. Its IUPAC name is 2-iodo-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name2-iodo-N-prop-2-ynylbenzamide
PubChem CID18110013
Molecular FormulaC10H8INO
Molecular Weight285.08 g/mol
Exact Mass284.97
IUPAC Name2-iodo-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccccc1I
InChIInChI=1S/C10H8INO/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h1,3-6H,7H2,(H,12,13)
InChIKeyOGHCQJPNXZXOJF-UHFFFAOYSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.08
LogP ≤ 51.65
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-2-ynyl-2-iodobenzamide
CID 115866883
2-iodo-N-pent-4-ynylbenzamide
CID 103709110
N-hex-5-ynyl-2-iodobenzamide
CID 103758134
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
2-fluoro-3-methyl-N-prop-2-ynylbenzamide
CID 80717864
methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate
CID 108571243
N-(3-acetamidopropyl)-2-iodobenzamide
CID 38450093
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-iodobenzamide
CID 90547862
2-iodo-N-pent-1-yn-3-ylbenzamide
CID 103579350
2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 47366118
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
2-iodo-N-(2-methylprop-2-enyl)-N-prop-2-ynylbenzamide
CID 11110554

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-prop-2-ynylbenzamide?
The IUPAC name of 2-iodo-N-prop-2-ynylbenzamide (CID 18110013) is 2-iodo-N-prop-2-ynylbenzamide.
What is the SMILES notation for 2-iodo-N-prop-2-ynylbenzamide?
The canonical SMILES for 2-iodo-N-prop-2-ynylbenzamide is C#CCNC(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-prop-2-ynylbenzamide?
The InChIKey is OGHCQJPNXZXOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h1,3-6H,7H2,(H,12,13).
What are the key properties of 2-iodo-N-prop-2-ynylbenzamide?
2-iodo-N-prop-2-ynylbenzamide has a molecular weight of 285.08 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-prop-2-ynylbenzamide is sourced from PubChem (CID 18110013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).