N-(2-iodophenyl)-4,4-dimethylpent-2-ynamide

C13H14INO — CID 15371892

IUPACN-(2-iodophenyl)-4,4-dimethylpent-2-ynamide
SMILESCC(C)(C)C#CC(=O)Nc1ccccc1I
InChIInChI=1S/C13H14INO/c1-13(2,3)9-8-12(16)15-11-7-5-4-6-10(11)14/h4-7H,1-3H3,(H,15,16)
InChIKeyGJHUKBIDAVLKAZ-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.28
Rot. Bonds1

About N-(2-iodophenyl)-4,4-dimethylpent-2-ynamide

N-(2-iodophenyl)-4,4-dimethylpent-2-ynamide (PubChem CID 15371892) has the molecular formula C13H14INO and a molecular weight of 327.17 g/mol. Its IUPAC name is N-(2-iodophenyl)-4,4-dimethylpent-2-ynamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-4,4-dimethylpent-2-ynamide
PubChem CID15371892
Molecular FormulaC13H14INO
Molecular Weight327.17 g/mol
Exact Mass327.01
IUPAC NameN-(2-iodophenyl)-4,4-dimethylpent-2-ynamide
SMILESCC(C)(C)C#CC(=O)Nc1ccccc1I
InChIInChI=1S/C13H14INO/c1-13(2,3)9-8-12(16)15-11-7-5-4-6-10(11)14/h4-7H,1-3H3,(H,15,16)
InChIKeyGJHUKBIDAVLKAZ-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.28
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-amino-N-(2-iodophenyl)-2-methylpropanamide
CID 61264402
2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid
CID 61264191
3-amino-N-(2-iodophenyl)-3-methylbutanamide
CID 64684765
3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide
CID 65264488
tert-butyl-[2-(2-iodoanilino)-2-oxoethyl]azanium
CID 9119792
4-[(2-iodophenyl)carbamoyl]benzoic acid
CID 43386509
2-(4-aminophenyl)-N-(2-iodophenyl)-2-methylpropanamide
CID 80555846
(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935
N-(2-iodophenyl)-3,5-dimethylbenzamide
CID 2118558
4-(2-iodoanilino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43397082
2-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881646
(2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide
CID 38886412

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-4,4-dimethylpent-2-ynamide?
The IUPAC name of N-(2-iodophenyl)-4,4-dimethylpent-2-ynamide (CID 15371892) is N-(2-iodophenyl)-4,4-dimethylpent-2-ynamide.
What is the SMILES notation for N-(2-iodophenyl)-4,4-dimethylpent-2-ynamide?
The canonical SMILES for N-(2-iodophenyl)-4,4-dimethylpent-2-ynamide is CC(C)(C)C#CC(=O)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-4,4-dimethylpent-2-ynamide?
The InChIKey is GJHUKBIDAVLKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INO/c1-13(2,3)9-8-12(16)15-11-7-5-4-6-10(11)14/h4-7H,1-3H3,(H,15,16).
What are the key properties of N-(2-iodophenyl)-4,4-dimethylpent-2-ynamide?
N-(2-iodophenyl)-4,4-dimethylpent-2-ynamide has a molecular weight of 327.17 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-4,4-dimethylpent-2-ynamide is sourced from PubChem (CID 15371892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).