N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-difluoro-2-iodobenzamide;hydrochloride

C14H20ClF2IN2O — CID 119598136

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4,5-difluoro-2-iodobenzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cc(F)c(F)cc1I.Cl
InChIInChI=1S/C14H19F2IN2O.ClH/c1-8(2)6-14(3,7-18)19-13(20)9-4-10(15)11(16)5-12(9)17;/h4-5,8H,6-7,18H2,1-3H3,(H,19,20);1H
InChIKeySESXLEWYFIVAOF-UHFFFAOYSA-N
MW432.68 g/mol
LogP3.48
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-difluoro-2-iodobenzamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-difluoro-2-iodobenzamide;hydrochloride (PubChem CID 119598136) has the molecular formula C14H20ClF2IN2O and a molecular weight of 432.68 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-difluoro-2-iodobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4,5-difluoro-2-iodobenzamide;hydrochloride
PubChem CID119598136
Molecular FormulaC14H20ClF2IN2O
Molecular Weight432.68 g/mol
Exact Mass432.03
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4,5-difluoro-2-iodobenzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cc(F)c(F)cc1I.Cl
InChIInChI=1S/C14H19F2IN2O.ClH/c1-8(2)6-14(3,7-18)19-13(20)9-4-10(15)11(16)5-12(9)17;/h4-5,8H,6-7,18H2,1-3H3,(H,19,20);1H
InChIKeySESXLEWYFIVAOF-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.68
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-iodobenzamide
CID 103807187
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 115309822
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide
CID 119573143
N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride
CID 119600052
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide
CID 81486385
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-3-fluorobenzamide;hydrochloride
CID 119597808
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119599263
N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoro-2-nitrobenzamide;hydrochloride
CID 119599327
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 81486078
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119598585

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-difluoro-2-iodobenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-difluoro-2-iodobenzamide;hydrochloride (CID 119598136) is N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-difluoro-2-iodobenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-difluoro-2-iodobenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-difluoro-2-iodobenzamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)c1cc(F)c(F)cc1I.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-difluoro-2-iodobenzamide;hydrochloride?
The InChIKey is SESXLEWYFIVAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2IN2O.ClH/c1-8(2)6-14(3,7-18)19-13(20)9-4-10(15)11(16)5-12(9)17;/h4-5,8H,6-7,18H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-difluoro-2-iodobenzamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-difluoro-2-iodobenzamide;hydrochloride has a molecular weight of 432.68 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-difluoro-2-iodobenzamide;hydrochloride is sourced from PubChem (CID 119598136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).