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

C10H12ClIN2O — CID 107625511

IUPAC2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C10H12ClIN2O/c1-10(2,13)9(15)14-8-4-3-6(11)5-7(8)12/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyGTTKXUHUIDJLHR-UHFFFAOYSA-N
MW338.58 g/mol
LogP2.62
Rot. Bonds2

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

2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide (PubChem CID 107625511) has the molecular formula C10H12ClIN2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
PubChem CID107625511
Molecular FormulaC10H12ClIN2O
Molecular Weight338.58 g/mol
Exact Mass337.97
IUPAC Name2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C10H12ClIN2O/c1-10(2,13)9(15)14-8-4-3-6(11)5-7(8)12/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyGTTKXUHUIDJLHR-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 52.62
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-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107624939
N-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide
CID 103766777
4-tert-butyl-N-(4-chloro-2-iodophenyl)benzamide
CID 107640588
2-amino-N-(2-iodophenyl)-2-methylpropanamide
CID 61264402
N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103766915
1-amino-3-(4-chloro-2-iodophenyl)urea
CID 107629399
methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
N-(4-chloro-2-iodophenyl)-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
CID 107637397
2-chloro-N-(4-chloro-2-iodophenyl)propanamide
CID 103881715
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide
CID 107638389
2-bromo-N-(4-chloro-2-iodophenyl)propanamide
CID 107906024

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide (CID 107625511) is 2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide is CC(C)(N)C(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of 2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide?
The InChIKey is GTTKXUHUIDJLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClIN2O/c1-10(2,13)9(15)14-8-4-3-6(11)5-7(8)12/h3-5H,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide?
2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide has a molecular weight of 338.58 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide is sourced from PubChem (CID 107625511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).