2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide

C11H14ClIN2O — CID 79796935

IUPAC2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H14ClIN2O/c1-3-11(2,14)10(16)15-9-5-4-7(13)6-8(9)12/h4-6H,3,14H2,1-2H3,(H,15,16)
InChIKeyBLJJRVPBYBJVPC-UHFFFAOYSA-N
MW352.60 g/mol
LogP3.01
Rot. Bonds3

About 2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide

2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide (PubChem CID 79796935) has the molecular formula C11H14ClIN2O and a molecular weight of 352.60 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide
PubChem CID79796935
Molecular FormulaC11H14ClIN2O
Molecular Weight352.60 g/mol
Exact Mass351.98
IUPAC Name2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H14ClIN2O/c1-3-11(2,14)10(16)15-9-5-4-7(13)6-8(9)12/h4-6H,3,14H2,1-2H3,(H,15,16)
InChIKeyBLJJRVPBYBJVPC-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.60
LogP ≤ 53.01
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

N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate
CID 107605946
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 79796494
N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604535
3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide
CID 79796922
2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide
CID 107471421
3-amino-N-(2-chloro-5-iodophenyl)-2,2,3-trimethylbutanamide
CID 114259751
2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide
CID 114257320
2-chloro-N-(2-chloro-4-iodophenyl)acetamide
CID 43701527
1-amino-3-(2-chloro-4-iodophenyl)urea
CID 107605938
2-amino-N-(2-chloro-5-nitrophenyl)-2-methylbutanamide
CID 79797811
2-(2,2-dimethylbutanoylamino)-5-iodobenzoic acid
CID 55178842

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide?
The IUPAC name of 2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide (CID 79796935) is 2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide is CCC(C)(N)C(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of 2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide?
The InChIKey is BLJJRVPBYBJVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClIN2O/c1-3-11(2,14)10(16)15-9-5-4-7(13)6-8(9)12/h4-6H,3,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide?
2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide has a molecular weight of 352.60 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide is sourced from PubChem (CID 79796935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).