2-(4-chloro-2-iodoanilino)butanamide

C10H12ClIN2O — CID 107635331

IUPAC2-(4-chloro-2-iodoanilino)butanamide
SMILESCCC(Nc1ccc(Cl)cc1I)C(N)=O
InChIInChI=1S/C10H12ClIN2O/c1-2-8(10(13)15)14-9-4-3-6(11)5-7(9)12/h3-5,8,14H,2H2,1H3,(H2,13,15)
InChIKeyKBMWXXLEURFBBQ-UHFFFAOYSA-N
MW338.58 g/mol
LogP2.62
Rot. Bonds4

About 2-(4-chloro-2-iodoanilino)butanamide

2-(4-chloro-2-iodoanilino)butanamide (PubChem CID 107635331) has the molecular formula C10H12ClIN2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 2-(4-chloro-2-iodoanilino)butanamide.

Molecular Properties

Compound Name2-(4-chloro-2-iodoanilino)butanamide
PubChem CID107635331
Molecular FormulaC10H12ClIN2O
Molecular Weight338.58 g/mol
Exact Mass337.97
IUPAC Name2-(4-chloro-2-iodoanilino)butanamide
SMILESCCC(Nc1ccc(Cl)cc1I)C(N)=O
InChIInChI=1S/C10H12ClIN2O/c1-2-8(10(13)15)14-9-4-3-6(11)5-7(9)12/h3-5,8,14H,2H2,1H3,(H2,13,15)
InChIKeyKBMWXXLEURFBBQ-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

ethyl 2-(4-chloro-2-iodoanilino)butanoate
CID 107634979
2-(2,4,5-trichloroanilino)butanamide
CID 62901359
2-(2-chloro-4-cyanoanilino)butanamide
CID 107807872
2-bromo-N-(4-chloro-2-iodophenyl)butanamide
CID 107624936
2-(2-fluoroanilino)butanamide
CID 60995502
3-(4-chloro-2-iodoanilino)-2-methylbutanoic acid
CID 107635004
2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide
CID 107635072
2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide
CID 107635388
2-(4-iodoanilino)butanamide
CID 62900403
4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline
CID 107632154
2-(2,3-difluoroanilino)butanamide
CID 62900030
2-(4-bromo-2,5-difluoroanilino)butanamide
CID 107611163

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-iodoanilino)butanamide?
The IUPAC name of 2-(4-chloro-2-iodoanilino)butanamide (CID 107635331) is 2-(4-chloro-2-iodoanilino)butanamide.
What is the SMILES notation for 2-(4-chloro-2-iodoanilino)butanamide?
The canonical SMILES for 2-(4-chloro-2-iodoanilino)butanamide is CCC(Nc1ccc(Cl)cc1I)C(N)=O.
What is the InChIKey of 2-(4-chloro-2-iodoanilino)butanamide?
The InChIKey is KBMWXXLEURFBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClIN2O/c1-2-8(10(13)15)14-9-4-3-6(11)5-7(9)12/h3-5,8,14H,2H2,1H3,(H2,13,15).
What are the key properties of 2-(4-chloro-2-iodoanilino)butanamide?
2-(4-chloro-2-iodoanilino)butanamide has a molecular weight of 338.58 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-iodoanilino)butanamide is sourced from PubChem (CID 107635331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).