N-(4-iodo-2-methylphenyl)-2-methylbutanamide

C12H16INO — CID 46511135

IUPACN-(4-iodo-2-methylphenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C12H16INO/c1-4-8(2)12(15)14-11-6-5-10(13)7-9(11)3/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyBVDVYQIWBVBKBM-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.58
Rot. Bonds3

About N-(4-iodo-2-methylphenyl)-2-methylbutanamide

N-(4-iodo-2-methylphenyl)-2-methylbutanamide (PubChem CID 46511135) has the molecular formula C12H16INO and a molecular weight of 317.17 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-methylbutanamide
PubChem CID46511135
Molecular FormulaC12H16INO
Molecular Weight317.17 g/mol
Exact Mass317.03
IUPAC NameN-(4-iodo-2-methylphenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C12H16INO/c1-4-8(2)12(15)14-11-6-5-10(13)7-9(11)3/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyBVDVYQIWBVBKBM-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.58
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

1-(4-iodo-2-methylphenyl)-3-methylurea
CID 47127604
(2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide
CID 30396590
N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 17034271
3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide
CID 106111632
2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride
CID 119955707
2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
CID 43877200
2-(ethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 4799659
2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide
CID 107471361
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
2-(4-iodo-2-methylanilino)propanoic acid
CID 66173319
(2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
CID 92647108
4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
CID 81075652

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-methylbutanamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-methylbutanamide (CID 46511135) is N-(4-iodo-2-methylphenyl)-2-methylbutanamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-methylbutanamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-methylbutanamide is CCC(C)C(=O)Nc1ccc(I)cc1C.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-methylbutanamide?
The InChIKey is BVDVYQIWBVBKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO/c1-4-8(2)12(15)14-11-6-5-10(13)7-9(11)3/h5-8H,4H2,1-3H3,(H,14,15).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-methylbutanamide?
N-(4-iodo-2-methylphenyl)-2-methylbutanamide has a molecular weight of 317.17 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-2-methylbutanamide is sourced from PubChem (CID 46511135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).