N-(3-iodophenyl)-3-methylpentanamide

C12H16INO — CID 114874887

IUPACN-(3-iodophenyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1cccc(I)c1
InChIInChI=1S/C12H16INO/c1-3-9(2)7-12(15)14-11-6-4-5-10(13)8-11/h4-6,8-9H,3,7H2,1-2H3,(H,14,15)
InChIKeyVMKXJZYPPRNSLA-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.67
Rot. Bonds4

About N-(3-iodophenyl)-3-methylpentanamide

N-(3-iodophenyl)-3-methylpentanamide (PubChem CID 114874887) has the molecular formula C12H16INO and a molecular weight of 317.17 g/mol. Its IUPAC name is N-(3-iodophenyl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-3-methylpentanamide
PubChem CID114874887
Molecular FormulaC12H16INO
Molecular Weight317.17 g/mol
Exact Mass317.03
IUPAC NameN-(3-iodophenyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1cccc(I)c1
InChIInChI=1S/C12H16INO/c1-3-9(2)7-12(15)14-11-6-4-5-10(13)8-11/h4-6,8-9H,3,7H2,1-2H3,(H,14,15)
InChIKeyVMKXJZYPPRNSLA-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(3-iodophenyl)-3-methylpent-4-ynamide
CID 176889518
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
N-(3-iodophenyl)octanamide
CID 55026619
4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
CID 81087317
3-methyl-N-pyridin-3-ylpentanamide
CID 142960765
(2S)-2-hydroxy-N-(3-iodophenyl)propanamide
CID 130653575
2-(2-aminobutylsulfanyl)-N-(3-iodophenyl)acetamide
CID 66229191
N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide
CID 114875158
[2-(3-iodoanilino)-2-oxoethyl] 2-ethoxyacetate
CID 8014515

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-3-methylpentanamide?
The IUPAC name of N-(3-iodophenyl)-3-methylpentanamide (CID 114874887) is N-(3-iodophenyl)-3-methylpentanamide.
What is the SMILES notation for N-(3-iodophenyl)-3-methylpentanamide?
The canonical SMILES for N-(3-iodophenyl)-3-methylpentanamide is CCC(C)CC(=O)Nc1cccc(I)c1.
What is the InChIKey of N-(3-iodophenyl)-3-methylpentanamide?
The InChIKey is VMKXJZYPPRNSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO/c1-3-9(2)7-12(15)14-11-6-4-5-10(13)8-11/h4-6,8-9H,3,7H2,1-2H3,(H,14,15).
What are the key properties of N-(3-iodophenyl)-3-methylpentanamide?
N-(3-iodophenyl)-3-methylpentanamide has a molecular weight of 317.17 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-3-methylpentanamide is sourced from PubChem (CID 114874887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).