N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride

C11H15ClFIN2O — CID 119995600

IUPACN-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride
SMILESCC(CN)CNC(=O)c1ccc(F)cc1I.Cl
InChIInChI=1S/C11H14FIN2O.ClH/c1-7(5-14)6-15-11(16)9-3-2-8(12)4-10(9)13;/h2-4,7H,5-6,14H2,1H3,(H,15,16);1H
InChIKeyLOLSPENEIJPOMI-UHFFFAOYSA-N
MW372.61 g/mol
LogP2.18
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride

N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride (PubChem CID 119995600) has the molecular formula C11H15ClFIN2O and a molecular weight of 372.61 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride
PubChem CID119995600
Molecular FormulaC11H15ClFIN2O
Molecular Weight372.61 g/mol
Exact Mass371.99
IUPAC NameN-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride
SMILESCC(CN)CNC(=O)c1ccc(F)cc1I.Cl
InChIInChI=1S/C11H14FIN2O.ClH/c1-7(5-14)6-15-11(16)9-3-2-8(12)4-10(9)13;/h2-4,7H,5-6,14H2,1H3,(H,15,16);1H
InChIKeyLOLSPENEIJPOMI-UHFFFAOYSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.61
LogP ≤ 52.18
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-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 119997831
N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119997336
N-(3-amino-2-methylpropyl)-3-iodo-2-methylbenzamide;hydrochloride
CID 119998328
N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-2-iodobenzamide
CID 113230894
N'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine
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4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide
CID 103839185
4-fluoro-2-iodo-N-(4-methylhexan-2-yl)benzamide
CID 103708356
N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
CID 119997585
N-(3-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119998030
3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid
CID 115596361
N-(3-amino-2-methylpropyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride
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CID 62693317

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride (CID 119995600) is N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride is CC(CN)CNC(=O)c1ccc(F)cc1I.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride?
The InChIKey is LOLSPENEIJPOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FIN2O.ClH/c1-7(5-14)6-15-11(16)9-3-2-8(12)4-10(9)13;/h2-4,7H,5-6,14H2,1H3,(H,15,16);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride?
N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride has a molecular weight of 372.61 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride is sourced from PubChem (CID 119995600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).