2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide

C11H14ClIN2O — CID 107635072

IUPAC2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide
SMILESCC(Nc1ccc(Cl)cc1I)C(=O)N(C)C
InChIInChI=1S/C11H14ClIN2O/c1-7(11(16)15(2)3)14-10-5-4-8(12)6-9(10)13/h4-7,14H,1-3H3
InChIKeyQTVJGYGQPYAYNU-UHFFFAOYSA-N
MW352.60 g/mol
LogP2.83
Rot. Bonds3

About 2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide

2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide (PubChem CID 107635072) has the molecular formula C11H14ClIN2O and a molecular weight of 352.60 g/mol. Its IUPAC name is 2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide
PubChem CID107635072
Molecular FormulaC11H14ClIN2O
Molecular Weight352.60 g/mol
Exact Mass351.98
IUPAC Name2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide
SMILESCC(Nc1ccc(Cl)cc1I)C(=O)N(C)C
InChIInChI=1S/C11H14ClIN2O/c1-7(11(16)15(2)3)14-10-5-4-8(12)6-9(10)13/h4-7,14H,1-3H3
InChIKeyQTVJGYGQPYAYNU-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.60
LogP ≤ 52.83
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-(2-iodo-4-nitroanilino)-N,N-dimethylpropanamide
CID 66095124
2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide
CID 107635388
3-(4-chloro-2-iodoanilino)-2-methylbutanoic acid
CID 107635004
2-chloro-N-(4-chloro-2-iodophenyl)propanamide
CID 103881715
2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
CID 63668275
4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline
CID 107632154
N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide
CID 107638389
2-bromo-N-(4-chloro-2-iodophenyl)propanamide
CID 107906024
2-(4-chloro-2-iodoanilino)butanamide
CID 107635331
2-[4-chloro-2-(dimethylcarbamoyl)anilino]propanoic acid
CID 91063152
2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide
CID 42961075
ethyl 2-(4-chloro-2-iodoanilino)butanoate
CID 107634979

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide?
The IUPAC name of 2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide (CID 107635072) is 2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide is CC(Nc1ccc(Cl)cc1I)C(=O)N(C)C.
What is the InChIKey of 2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide?
The InChIKey is QTVJGYGQPYAYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClIN2O/c1-7(11(16)15(2)3)14-10-5-4-8(12)6-9(10)13/h4-7,14H,1-3H3.
What are the key properties of 2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide?
2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide has a molecular weight of 352.60 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 107635072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).