N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-iodobenzamide

C14H20ClIN2O — CID 103807187

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-iodobenzamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C14H20ClIN2O/c1-9(2)7-14(3,8-17)18-13(19)11-6-10(15)4-5-12(11)16/h4-6,9H,7-8,17H2,1-3H3,(H,18,19)
InChIKeyBSOXXNIDMRPIQK-UHFFFAOYSA-N
MW394.68 g/mol
LogP3.44
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-iodobenzamide

N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-iodobenzamide (PubChem CID 103807187) has the molecular formula C14H20ClIN2O and a molecular weight of 394.68 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-iodobenzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-iodobenzamide
PubChem CID103807187
Molecular FormulaC14H20ClIN2O
Molecular Weight394.68 g/mol
Exact Mass394.03
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-iodobenzamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C14H20ClIN2O/c1-9(2)7-14(3,8-17)18-13(19)11-6-10(15)4-5-12(11)16/h4-6,9H,7-8,17H2,1-3H3,(H,18,19)
InChIKeyBSOXXNIDMRPIQK-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.68
LogP ≤ 53.44
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-2,4-dimethylpentan-2-yl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119599263
N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-difluoro-2-iodobenzamide;hydrochloride
CID 119598136
N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride
CID 119573365
N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride
CID 119600052
N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide
CID 107725269
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide
CID 81487529
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 115309822
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4-dibromobenzamide
CID 107940162
N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide
CID 104872338
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119598750
4-[(5-chloro-2-iodobenzoyl)amino]-4-methylpentanoic acid
CID 103790574
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride
CID 119598613

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-iodobenzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-iodobenzamide (CID 103807187) is N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-iodobenzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-iodobenzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-iodobenzamide is CC(C)CC(C)(CN)NC(=O)c1cc(Cl)ccc1I.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-iodobenzamide?
The InChIKey is BSOXXNIDMRPIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClIN2O/c1-9(2)7-14(3,8-17)18-13(19)11-6-10(15)4-5-12(11)16/h4-6,9H,7-8,17H2,1-3H3,(H,18,19).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-iodobenzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-iodobenzamide has a molecular weight of 394.68 g/mol, XLogP of 3.44, 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)-5-chloro-2-iodobenzamide is sourced from PubChem (CID 103807187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).