N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride

C13H20ClIN2O — CID 119605904

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1cccc(I)c1.Cl
InChIInChI=1S/C13H19IN2O.ClH/c1-9(2)13(3,8-15)16-12(17)10-5-4-6-11(14)7-10;/h4-7,9H,8,15H2,1-3H3,(H,16,17);1H
InChIKeyPYTAOSGIEOYFCD-UHFFFAOYSA-N
MW382.67 g/mol
LogP2.82
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride (PubChem CID 119605904) has the molecular formula C13H20ClIN2O and a molecular weight of 382.67 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride
PubChem CID119605904
Molecular FormulaC13H20ClIN2O
Molecular Weight382.67 g/mol
Exact Mass382.03
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1cccc(I)c1.Cl
InChIInChI=1S/C13H19IN2O.ClH/c1-9(2)13(3,8-15)16-12(17)10-5-4-6-11(14)7-10;/h4-7,9H,8,15H2,1-3H3,(H,16,17);1H
InChIKeyPYTAOSGIEOYFCD-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.67
LogP ≤ 52.82
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

N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
CID 119605448
3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 119609065
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide
CID 81486115
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119607470
N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride
CID 119607727
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylbenzamide;hydrochloride
CID 119608679
N-(1-amino-2,3-dimethylbutan-2-yl)quinoxaline-6-carboxamide
CID 115310480
N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride
CID 119607871
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide
CID 119607471
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119608584
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119605990

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride (CID 119605904) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride is CC(C)C(C)(CN)NC(=O)c1cccc(I)c1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride?
The InChIKey is PYTAOSGIEOYFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O.ClH/c1-9(2)13(3,8-15)16-12(17)10-5-4-6-11(14)7-10;/h4-7,9H,8,15H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride has a molecular weight of 382.67 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride is sourced from PubChem (CID 119605904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).