N-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride

C11H15Cl2IN2O — CID 119582463

IUPACN-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1cc(Cl)ccc1I.Cl
InChIInChI=1S/C11H14ClIN2O.ClH/c1-7(6-14)15(2)11(16)9-5-8(12)3-4-10(9)13;/h3-5,7H,6,14H2,1-2H3;1H
InChIKeySNXACNQYEVENTR-UHFFFAOYSA-N
MW389.06 g/mol
LogP2.79
Rot. Bonds3

About N-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride

N-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride (PubChem CID 119582463) has the molecular formula C11H15Cl2IN2O and a molecular weight of 389.06 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride
PubChem CID119582463
Molecular FormulaC11H15Cl2IN2O
Molecular Weight389.06 g/mol
Exact Mass387.96
IUPAC NameN-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1cc(Cl)ccc1I.Cl
InChIInChI=1S/C11H14ClIN2O.ClH/c1-7(6-14)15(2)11(16)9-5-8(12)3-4-10(9)13;/h3-5,7H,6,14H2,1-2H3;1H
InChIKeySNXACNQYEVENTR-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.06
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide
CID 114030464
N-(1-amino-1-sulfanylidenepropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide
CID 114030722
N-(1-aminopropan-2-yl)-3-fluoro-4-iodo-N-methylbenzamide;hydrochloride
CID 119584721
N-(1-aminopropan-2-yl)-2-chloro-4,5-difluoro-N-methylbenzamide;hydrochloride
CID 119583838
N-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride
CID 119581718
N-(3-amino-2,2-dimethylpropyl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride
CID 119653819
N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride
CID 119584840
N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide
CID 119584919
3-[(5-chloro-2-iodobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 103790952
N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzamide;hydrochloride
CID 119581694
N-(1-aminopropan-2-yl)-2,4-dichloro-N-methyl-5-methylsulfanylbenzamide
CID 119582773
N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride
CID 119582804

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride (CID 119582463) is N-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride is CC(CN)N(C)C(=O)c1cc(Cl)ccc1I.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride?
The InChIKey is SNXACNQYEVENTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClIN2O.ClH/c1-7(6-14)15(2)11(16)9-5-8(12)3-4-10(9)13;/h3-5,7H,6,14H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride?
N-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride has a molecular weight of 389.06 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119582463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).