N-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride

C12H18ClIN2O2 — CID 119581718

IUPACN-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride
SMILESCOc1ccc(C(=O)N(C)C(C)CN)c(I)c1.Cl
InChIInChI=1S/C12H17IN2O2.ClH/c1-8(7-14)15(2)12(16)10-5-4-9(17-3)6-11(10)13;/h4-6,8H,7,14H2,1-3H3;1H
InChIKeyRIJWLJHZGRZPTH-UHFFFAOYSA-N
MW384.65 g/mol
LogP2.14
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride

N-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride (PubChem CID 119581718) has the molecular formula C12H18ClIN2O2 and a molecular weight of 384.65 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride
PubChem CID119581718
Molecular FormulaC12H18ClIN2O2
Molecular Weight384.65 g/mol
Exact Mass384.01
IUPAC NameN-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride
SMILESCOc1ccc(C(=O)N(C)C(C)CN)c(I)c1.Cl
InChIInChI=1S/C12H17IN2O2.ClH/c1-8(7-14)15(2)12(16)10-5-4-9(17-3)6-11(10)13;/h4-6,8H,7,14H2,1-3H3;1H
InChIKeyRIJWLJHZGRZPTH-UHFFFAOYSA-N
XLogP2.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.65
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide
CID 112701391
N-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride
CID 119582463
3-[(2-iodo-4-methoxybenzoyl)-methylamino]propanoic acid
CID 119362866
N-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 119583971
N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide
CID 104556591
N-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide
CID 119583657
2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide
CID 43430281
N-(1-aminopropan-2-yl)-3-fluoro-4-iodo-N-methylbenzamide;hydrochloride
CID 119584721
N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride
CID 119584840
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4-dimethoxy-N-methylbenzamide
CID 63223316
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 63223234
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride (CID 119581718) is N-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride is COc1ccc(C(=O)N(C)C(C)CN)c(I)c1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride?
The InChIKey is RIJWLJHZGRZPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O2.ClH/c1-8(7-14)15(2)12(16)10-5-4-9(17-3)6-11(10)13;/h4-6,8H,7,14H2,1-3H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride?
N-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride has a molecular weight of 384.65 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119581718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).