N-(3-amino-2-methylpropyl)-3-iodo-2-methylbenzamide;hydrochloride

C12H18ClIN2O — CID 119998328

IUPACN-(3-amino-2-methylpropyl)-3-iodo-2-methylbenzamide;hydrochloride
SMILESCc1c(I)cccc1C(=O)NCC(C)CN.Cl
InChIInChI=1S/C12H17IN2O.ClH/c1-8(6-14)7-15-12(16)10-4-3-5-11(13)9(10)2;/h3-5,8H,6-7,14H2,1-2H3,(H,15,16);1H
InChIKeyINLVAESBJBZYEP-UHFFFAOYSA-N
MW368.65 g/mol
LogP2.35
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-3-iodo-2-methylbenzamide;hydrochloride

N-(3-amino-2-methylpropyl)-3-iodo-2-methylbenzamide;hydrochloride (PubChem CID 119998328) has the molecular formula C12H18ClIN2O and a molecular weight of 368.65 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-iodo-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-iodo-2-methylbenzamide;hydrochloride
PubChem CID119998328
Molecular FormulaC12H18ClIN2O
Molecular Weight368.65 g/mol
Exact Mass368.02
IUPAC NameN-(3-amino-2-methylpropyl)-3-iodo-2-methylbenzamide;hydrochloride
SMILESCc1c(I)cccc1C(=O)NCC(C)CN.Cl
InChIInChI=1S/C12H17IN2O.ClH/c1-8(6-14)7-15-12(16)10-4-3-5-11(13)9(10)2;/h3-5,8H,6-7,14H2,1-2H3,(H,15,16);1H
InChIKeyINLVAESBJBZYEP-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.65
LogP ≤ 52.35
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-methylbenzamide
CID 62666683
N-(3-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119998030
N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride
CID 119995600
N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide
CID 66092297
N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide
CID 115271620
2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 113265693
N-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride
CID 119996445
N-[3-(aminomethyl)pentan-3-yl]-3-iodo-2-methylbenzamide;hydrochloride
CID 119571130
3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 66091959
N-(3-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
CID 119997396
N-(3-amino-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 62666688
N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide
CID 107012883

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-iodo-2-methylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-iodo-2-methylbenzamide;hydrochloride (CID 119998328) is N-(3-amino-2-methylpropyl)-3-iodo-2-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-iodo-2-methylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-iodo-2-methylbenzamide;hydrochloride is Cc1c(I)cccc1C(=O)NCC(C)CN.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-iodo-2-methylbenzamide;hydrochloride?
The InChIKey is INLVAESBJBZYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O.ClH/c1-8(6-14)7-15-12(16)10-4-3-5-11(13)9(10)2;/h3-5,8H,6-7,14H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3-iodo-2-methylbenzamide;hydrochloride?
N-(3-amino-2-methylpropyl)-3-iodo-2-methylbenzamide;hydrochloride has a molecular weight of 368.65 g/mol, XLogP of 2.35, 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)-3-iodo-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 119998328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).