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

C11H13ClINO2 — CID 103766777

IUPACN-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C11H13ClINO2/c1-11(2,16-3)10(15)14-9-5-4-7(12)6-8(9)13/h4-6H,1-3H3,(H,14,15)
InChIKeyDYCVJOZVPOZAHU-UHFFFAOYSA-N
MW353.59 g/mol
LogP3.31
Rot. Bonds3

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

N-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide (PubChem CID 103766777) has the molecular formula C11H13ClINO2 and a molecular weight of 353.59 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide
PubChem CID103766777
Molecular FormulaC11H13ClINO2
Molecular Weight353.59 g/mol
Exact Mass352.97
IUPAC NameN-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C11H13ClINO2/c1-11(2,16-3)10(15)14-9-5-4-7(12)6-8(9)13/h4-6H,1-3H3,(H,14,15)
InChIKeyDYCVJOZVPOZAHU-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.59
LogP ≤ 53.31
H-Bond Donors ≤ 51
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
2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107625511
methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103029050
N-(4-chloro-2-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 103028854
4-tert-butyl-N-(4-chloro-2-iodophenyl)benzamide
CID 107640588
N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103766915
N-(4-chloro-2-iodophenyl)-3-methoxypropanamide
CID 103766747
tert-butyl 2-chloro-6-fluoro-3-[(2-methoxy-2-methylpropanoyl)amino]benzoate
CID 126829946
2-chloro-N-(4-chloro-2-iodophenyl)propanamide
CID 103881715
1-amino-3-(4-chloro-2-iodophenyl)urea
CID 107629399
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide (CID 103766777) is N-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide?
The InChIKey is DYCVJOZVPOZAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClINO2/c1-11(2,16-3)10(15)14-9-5-4-7(12)6-8(9)13/h4-6H,1-3H3,(H,14,15).
What are the key properties of N-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide?
N-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide has a molecular weight of 353.59 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103766777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).