N-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide

C12H16ClIN2O — CID 114259790

IUPACN-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1cc(I)ccc1Cl
InChIInChI=1S/C12H16ClIN2O/c1-4-15-12(2,3)11(17)16-10-7-8(14)5-6-9(10)13/h5-7,15H,4H2,1-3H3,(H,16,17)
InChIKeyVKEWIFLRMJIORQ-UHFFFAOYSA-N
MW366.63 g/mol
LogP3.27
Rot. Bonds4

About N-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide

N-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide (PubChem CID 114259790) has the molecular formula C12H16ClIN2O and a molecular weight of 366.63 g/mol. Its IUPAC name is N-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide
PubChem CID114259790
Molecular FormulaC12H16ClIN2O
Molecular Weight366.63 g/mol
Exact Mass366.00
IUPAC NameN-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1cc(I)ccc1Cl
InChIInChI=1S/C12H16ClIN2O/c1-4-15-12(2,3)11(17)16-10-7-8(14)5-6-9(10)13/h5-7,15H,4H2,1-3H3,(H,16,17)
InChIKeyVKEWIFLRMJIORQ-UHFFFAOYSA-N
XLogP3.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.63
LogP ≤ 53.27
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-[[2-(ethylamino)-2-methylpropanoyl]amino]-5-iodobenzoic acid
CID 63111693
N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide
CID 104727045
3-amino-N-(2-chloro-5-iodophenyl)-2,2,3-trimethylbutanamide
CID 114259751
N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 114001853
2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide
CID 79796935
methyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate
CID 62832150
N-(2,5-dichlorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62834105
N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide
CID 4629651
(2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide
CID 130498897
N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 55121126
N-(3-chloro-4-nitrophenyl)-2-(ethylamino)-2-methylpropanamide
CID 82865144
N-[4-(dimethylamino)-2-methylphenyl]-2-(ethylamino)-2-methylpropanamide
CID 62833572

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide (CID 114259790) is N-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide is CCNC(C)(C)C(=O)Nc1cc(I)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide?
The InChIKey is VKEWIFLRMJIORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClIN2O/c1-4-15-12(2,3)11(17)16-10-7-8(14)5-6-9(10)13/h5-7,15H,4H2,1-3H3,(H,16,17).
What are the key properties of N-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide?
N-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide has a molecular weight of 366.63 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 114259790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).