4-chloro-N-(3-iodoprop-2-ynyl)-N-methoxybenzamide

C11H9ClINO2 — CID 54476322

IUPAC4-chloro-N-(3-iodoprop-2-ynyl)-N-methoxybenzamide
SMILESCON(CC#CI)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClINO2/c1-16-14(8-2-7-13)11(15)9-3-5-10(12)6-4-9/h3-6H,8H2,1H3
InChIKeyXLVIRFQYQSTXMF-UHFFFAOYSA-N
MW349.56 g/mol
LogP2.74
Rot. Bonds3

About 4-chloro-N-(3-iodoprop-2-ynyl)-N-methoxybenzamide

4-chloro-N-(3-iodoprop-2-ynyl)-N-methoxybenzamide (PubChem CID 54476322) has the molecular formula C11H9ClINO2 and a molecular weight of 349.56 g/mol. Its IUPAC name is 4-chloro-N-(3-iodoprop-2-ynyl)-N-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-(3-iodoprop-2-ynyl)-N-methoxybenzamide
PubChem CID54476322
Molecular FormulaC11H9ClINO2
Molecular Weight349.56 g/mol
Exact Mass348.94
IUPAC Name4-chloro-N-(3-iodoprop-2-ynyl)-N-methoxybenzamide
SMILESCON(CC#CI)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClINO2/c1-16-14(8-2-7-13)11(15)9-3-5-10(12)6-4-9/h3-6H,8H2,1H3
InChIKeyXLVIRFQYQSTXMF-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.56
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N,N-bis(cyanomethyl)benzamide
CID 728640
4-chloro-N-(cyanomethyl)-N-hydroxybenzamide
CID 168873128
N,N'-diacetyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 3820065
methyl 2-[(4-chlorobenzoyl)-propan-2-ylamino]acetate
CID 54941937
N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride
CID 54256213
2-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide
CID 166406350
methyl 2-[(4-chlorophenyl)methyl-(4-iodobenzoyl)amino]acetate
CID 52655224
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide
CID 18283094
4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide
CID 154838385
4-chloro-N-(2-chloropropyl)-N-methylbenzamide
CID 63393567
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-iodoprop-2-ynyl)-N-methoxybenzamide?
The IUPAC name of 4-chloro-N-(3-iodoprop-2-ynyl)-N-methoxybenzamide (CID 54476322) is 4-chloro-N-(3-iodoprop-2-ynyl)-N-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-(3-iodoprop-2-ynyl)-N-methoxybenzamide?
The canonical SMILES for 4-chloro-N-(3-iodoprop-2-ynyl)-N-methoxybenzamide is CON(CC#CI)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-iodoprop-2-ynyl)-N-methoxybenzamide?
The InChIKey is XLVIRFQYQSTXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClINO2/c1-16-14(8-2-7-13)11(15)9-3-5-10(12)6-4-9/h3-6H,8H2,1H3.
What are the key properties of 4-chloro-N-(3-iodoprop-2-ynyl)-N-methoxybenzamide?
4-chloro-N-(3-iodoprop-2-ynyl)-N-methoxybenzamide has a molecular weight of 349.56 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-iodoprop-2-ynyl)-N-methoxybenzamide is sourced from PubChem (CID 54476322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).