3-amino-N-(2-iodophenyl)-3-methylbutanamide

C11H15IN2O — CID 64684765

IUPAC3-amino-N-(2-iodophenyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)Nc1ccccc1I
InChIInChI=1S/C11H15IN2O/c1-11(2,13)7-10(15)14-9-6-4-3-5-8(9)12/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyFCLNQOOBSUPHNX-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.36
Rot. Bonds3

About 3-amino-N-(2-iodophenyl)-3-methylbutanamide

3-amino-N-(2-iodophenyl)-3-methylbutanamide (PubChem CID 64684765) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 3-amino-N-(2-iodophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-iodophenyl)-3-methylbutanamide
PubChem CID64684765
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name3-amino-N-(2-iodophenyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)Nc1ccccc1I
InChIInChI=1S/C11H15IN2O/c1-11(2,13)7-10(15)14-9-6-4-3-5-8(9)12/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyFCLNQOOBSUPHNX-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-iodophenyl)-2-methylpropanamide
CID 61264402
4-(2-iodoanilino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43397082
tert-butyl-[2-(2-iodoanilino)-2-oxoethyl]azanium
CID 9119792
3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide
CID 65264488
3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide
CID 64678372
4-amino-N-(2-iodophenyl)butanamide
CID 28978404
N-(2-iodophenyl)-2-methylsulfonylacetamide
CID 47207428
2-acetamido-N-(2-iodophenyl)acetamide
CID 60635742
3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide
CID 64678036
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride
CID 119928883
3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321
2-[(3-amino-3-methylbutanoyl)amino]-6-methylbenzoic acid
CID 64676890

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-iodophenyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(2-iodophenyl)-3-methylbutanamide (CID 64684765) is 3-amino-N-(2-iodophenyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(2-iodophenyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(2-iodophenyl)-3-methylbutanamide is CC(C)(N)CC(=O)Nc1ccccc1I.
What is the InChIKey of 3-amino-N-(2-iodophenyl)-3-methylbutanamide?
The InChIKey is FCLNQOOBSUPHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-11(2,13)7-10(15)14-9-6-4-3-5-8(9)12/h3-6H,7,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-N-(2-iodophenyl)-3-methylbutanamide?
3-amino-N-(2-iodophenyl)-3-methylbutanamide has a molecular weight of 318.16 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-iodophenyl)-3-methylbutanamide is sourced from PubChem (CID 64684765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).