2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide

C13H18ClIN2O — CID 107635388

IUPAC2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Nc1ccc(Cl)cc1I
InChIInChI=1S/C13H18ClIN2O/c1-8(2)7-16-13(18)9(3)17-12-5-4-10(14)6-11(12)15/h4-6,8-9,17H,7H2,1-3H3,(H,16,18)
InChIKeyVWNNOYWCNMESEH-UHFFFAOYSA-N
MW380.66 g/mol
LogP3.52
Rot. Bonds5

About 2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide

2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide (PubChem CID 107635388) has the molecular formula C13H18ClIN2O and a molecular weight of 380.66 g/mol. Its IUPAC name is 2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide
PubChem CID107635388
Molecular FormulaC13H18ClIN2O
Molecular Weight380.66 g/mol
Exact Mass380.02
IUPAC Name2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Nc1ccc(Cl)cc1I
InChIInChI=1S/C13H18ClIN2O/c1-8(2)7-16-13(18)9(3)17-12-5-4-10(14)6-11(12)15/h4-6,8-9,17H,7H2,1-3H3,(H,16,18)
InChIKeyVWNNOYWCNMESEH-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.66
LogP ≤ 53.52
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-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide
CID 107635072
N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide
CID 55118207
3-(4-chloro-2-iodoanilino)-2-methylbutanoic acid
CID 107635004
2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate
CID 107640719
2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide
CID 113219253
2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide
CID 43086912
2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide
CID 62494182
2-chloro-N-(4-chloro-2-iodophenyl)propanamide
CID 103881715
N-(4-chloro-2-iodophenyl)-4-methylpentanamide
CID 103766832
2-[1-(2,5-dichlorophenyl)ethylamino]-N-(2-methylpropyl)propanamide
CID 115597077
2-bromo-N-(4-chloro-2-iodophenyl)propanamide
CID 107906024
N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide
CID 107638389

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide (CID 107635388) is 2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)Nc1ccc(Cl)cc1I.
What is the InChIKey of 2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide?
The InChIKey is VWNNOYWCNMESEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClIN2O/c1-8(2)7-16-13(18)9(3)17-12-5-4-10(14)6-11(12)15/h4-6,8-9,17H,7H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide?
2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide has a molecular weight of 380.66 g/mol, XLogP of 3.52, 5 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)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 107635388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).