(3R)-N-(3-iodophenyl)-3-methylpent-4-ynamide

C12H12INO — CID 176889518

IUPAC(3R)-N-(3-iodophenyl)-3-methylpent-4-ynamide
SMILESC#C[C@H](C)CC(=O)Nc1cccc(I)c1
InChIInChI=1S/C12H12INO/c1-3-9(2)7-12(15)14-11-6-4-5-10(13)8-11/h1,4-6,8-9H,7H2,2H3,(H,14,15)/t9-/m0/s1
InChIKeyFESCKJREDYJCEV-VIFPVBQESA-N
MW313.14 g/mol
LogP2.89
Rot. Bonds3

About (3R)-N-(3-iodophenyl)-3-methylpent-4-ynamide

(3R)-N-(3-iodophenyl)-3-methylpent-4-ynamide (PubChem CID 176889518) has the molecular formula C12H12INO and a molecular weight of 313.14 g/mol. Its IUPAC name is (3R)-N-(3-iodophenyl)-3-methylpent-4-ynamide.

Molecular Properties

Compound Name(3R)-N-(3-iodophenyl)-3-methylpent-4-ynamide
PubChem CID176889518
Molecular FormulaC12H12INO
Molecular Weight313.14 g/mol
Exact Mass313.00
IUPAC Name(3R)-N-(3-iodophenyl)-3-methylpent-4-ynamide
SMILESC#C[C@H](C)CC(=O)Nc1cccc(I)c1
InChIInChI=1S/C12H12INO/c1-3-9(2)7-12(15)14-11-6-4-5-10(13)8-11/h1,4-6,8-9H,7H2,2H3,(H,14,15)/t9-/m0/s1
InChIKeyFESCKJREDYJCEV-VIFPVBQESA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.89
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-(3-iodophenyl)-3-methylpentanamide
CID 114874887
N-(3-iodophenyl)-3,3-diphenylpropanamide
CID 1297500
(2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid
CID 83194447
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100
3-(3-iodoanilino)-3-oxopropanoic acid
CID 62230564
prop-2-ynyl N-(3-iodophenyl)carbamate
CID 22016211
(2S)-2-hydroxy-N-(3-iodophenyl)propanamide
CID 130653575
(2S)-2-amino-N-(3-iodophenyl)propanamide
CID 28882940
2-[[2-(3-iodoanilino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771974
2-(3-aminobutylsulfanyl)-N-(3-iodophenyl)acetamide
CID 66233279
2-anilino-N-(3-iodophenyl)acetamide
CID 47107105
3-(3-iodoanilino)-2-methyl-3-oxopropanoic acid
CID 114897091

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-iodophenyl)-3-methylpent-4-ynamide?
The IUPAC name of (3R)-N-(3-iodophenyl)-3-methylpent-4-ynamide (CID 176889518) is (3R)-N-(3-iodophenyl)-3-methylpent-4-ynamide.
What is the SMILES notation for (3R)-N-(3-iodophenyl)-3-methylpent-4-ynamide?
The canonical SMILES for (3R)-N-(3-iodophenyl)-3-methylpent-4-ynamide is C#C[C@H](C)CC(=O)Nc1cccc(I)c1.
What is the InChIKey of (3R)-N-(3-iodophenyl)-3-methylpent-4-ynamide?
The InChIKey is FESCKJREDYJCEV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12INO/c1-3-9(2)7-12(15)14-11-6-4-5-10(13)8-11/h1,4-6,8-9H,7H2,2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (3R)-N-(3-iodophenyl)-3-methylpent-4-ynamide?
(3R)-N-(3-iodophenyl)-3-methylpent-4-ynamide has a molecular weight of 313.14 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-iodophenyl)-3-methylpent-4-ynamide is sourced from PubChem (CID 176889518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).