N-(3-amino-2,2-dimethylpropyl)-2-chloro-4-iodo-N-methylbenzamide;hydrochloride

C13H19Cl2IN2O — CID 119654041

IUPACN-(3-amino-2,2-dimethylpropyl)-2-chloro-4-iodo-N-methylbenzamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1ccc(I)cc1Cl.Cl
InChIInChI=1S/C13H18ClIN2O.ClH/c1-13(2,7-16)8-17(3)12(18)10-5-4-9(15)6-11(10)14;/h4-6H,7-8,16H2,1-3H3;1H
InChIKeyXARBEYCJQBRDTR-UHFFFAOYSA-N
MW417.12 g/mol
LogP3.42
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-2-chloro-4-iodo-N-methylbenzamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-2-chloro-4-iodo-N-methylbenzamide;hydrochloride (PubChem CID 119654041) has the molecular formula C13H19Cl2IN2O and a molecular weight of 417.12 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-chloro-4-iodo-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-chloro-4-iodo-N-methylbenzamide;hydrochloride
PubChem CID119654041
Molecular FormulaC13H19Cl2IN2O
Molecular Weight417.12 g/mol
Exact Mass415.99
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-chloro-4-iodo-N-methylbenzamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1ccc(I)cc1Cl.Cl
InChIInChI=1S/C13H18ClIN2O.ClH/c1-13(2,7-16)8-17(3)12(18)10-5-4-9(15)6-11(10)14;/h4-6H,7-8,16H2,1-3H3;1H
InChIKeyXARBEYCJQBRDTR-UHFFFAOYSA-N
XLogP3.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.12
LogP ≤ 53.42
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

N-(3-amino-2,2-dimethylpropyl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride
CID 119653819
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-2-iodo-N-methylbenzamide
CID 113265912
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-chloro-N-methylbenzamide;hydrochloride
CID 119656122
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methyl-2-nitrobenzamide;hydrochloride
CID 119653102
N-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide
CID 119655324
3-[(2-chloro-4-iodobenzoyl)-methylamino]-2-methylpropanoic acid
CID 122111769
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
CID 79653062
N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
CID 79652780
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119652529
N-(3-amino-2,2-dimethylpropyl)-2,3,4-trimethoxy-N-methylbenzamide;hydrochloride
CID 119654821
N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 79668411

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-chloro-4-iodo-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-chloro-4-iodo-N-methylbenzamide;hydrochloride (CID 119654041) is N-(3-amino-2,2-dimethylpropyl)-2-chloro-4-iodo-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-chloro-4-iodo-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-chloro-4-iodo-N-methylbenzamide;hydrochloride is CN(CC(C)(C)CN)C(=O)c1ccc(I)cc1Cl.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-chloro-4-iodo-N-methylbenzamide;hydrochloride?
The InChIKey is XARBEYCJQBRDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClIN2O.ClH/c1-13(2,7-16)8-17(3)12(18)10-5-4-9(15)6-11(10)14;/h4-6H,7-8,16H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-chloro-4-iodo-N-methylbenzamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-2-chloro-4-iodo-N-methylbenzamide;hydrochloride has a molecular weight of 417.12 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-chloro-4-iodo-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119654041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).