N-but-2-ynyl-2-iodo-N-methylbenzamide

C12H12INO — CID 14943568

IUPACN-but-2-ynyl-2-iodo-N-methylbenzamide
SMILESCC#CCN(C)C(=O)c1ccccc1I
InChIInChI=1S/C12H12INO/c1-3-4-9-14(2)12(15)10-7-5-6-8-11(10)13/h5-8H,9H2,1-2H3
InChIKeyXQCJKAUANGOZBB-UHFFFAOYSA-N
MW313.14 g/mol
LogP2.39
Rot. Bonds2

About N-but-2-ynyl-2-iodo-N-methylbenzamide

N-but-2-ynyl-2-iodo-N-methylbenzamide (PubChem CID 14943568) has the molecular formula C12H12INO and a molecular weight of 313.14 g/mol. Its IUPAC name is N-but-2-ynyl-2-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-but-2-ynyl-2-iodo-N-methylbenzamide
PubChem CID14943568
Molecular FormulaC12H12INO
Molecular Weight313.14 g/mol
Exact Mass313.00
IUPAC NameN-but-2-ynyl-2-iodo-N-methylbenzamide
SMILESCC#CCN(C)C(=O)c1ccccc1I
InChIInChI=1S/C12H12INO/c1-3-4-9-14(2)12(15)10-7-5-6-8-11(10)13/h5-8H,9H2,1-2H3
InChIKeyXQCJKAUANGOZBB-UHFFFAOYSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.39
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-but-2-ynyl-2-iodobenzamide
CID 115866883
N-(3-aminopropyl)-2-iodo-N-methylbenzamide
CID 81483846
2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide
CID 43833989
N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
CID 107199930
2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 61381239
N-cyano-2-iodo-N-methylbenzamide
CID 130884636
N,N-bis(cyanomethyl)-2-iodobenzamide
CID 615773
N-but-2-ynyl-N-(2-iodophenyl)benzamide
CID 14943562
2-iodo-N-[2-[(2-iodophenyl)methylamino]-2-oxoethyl]-N-methylbenzamide
CID 11318600
2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 60631043
2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 47097163
N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 60628160

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-2-iodo-N-methylbenzamide?
The IUPAC name of N-but-2-ynyl-2-iodo-N-methylbenzamide (CID 14943568) is N-but-2-ynyl-2-iodo-N-methylbenzamide.
What is the SMILES notation for N-but-2-ynyl-2-iodo-N-methylbenzamide?
The canonical SMILES for N-but-2-ynyl-2-iodo-N-methylbenzamide is CC#CCN(C)C(=O)c1ccccc1I.
What is the InChIKey of N-but-2-ynyl-2-iodo-N-methylbenzamide?
The InChIKey is XQCJKAUANGOZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO/c1-3-4-9-14(2)12(15)10-7-5-6-8-11(10)13/h5-8H,9H2,1-2H3.
What are the key properties of N-but-2-ynyl-2-iodo-N-methylbenzamide?
N-but-2-ynyl-2-iodo-N-methylbenzamide has a molecular weight of 313.14 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-2-iodo-N-methylbenzamide is sourced from PubChem (CID 14943568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).