N-[(2R)-2-(ethylamino)propyl]-2-iodo-4,5-dimethoxybenzamide;hydrochloride

C14H22ClIN2O3 — CID 120653648

IUPACN-[(2R)-2-(ethylamino)propyl]-2-iodo-4,5-dimethoxybenzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cc(OC)c(OC)cc1I.Cl
InChIInChI=1S/C14H21IN2O3.ClH/c1-5-16-9(2)8-17-14(18)10-6-12(19-3)13(20-4)7-11(10)15;/h6-7,9,16H,5,8H2,1-4H3,(H,17,18);1H/t9-;/m1./s1
InChIKeyJMSZTJHBHQGRNF-SBSPUUFOSA-N
MW428.70 g/mol
LogP2.46
Rot. Bonds7

About N-[(2R)-2-(ethylamino)propyl]-2-iodo-4,5-dimethoxybenzamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-2-iodo-4,5-dimethoxybenzamide;hydrochloride (PubChem CID 120653648) has the molecular formula C14H22ClIN2O3 and a molecular weight of 428.70 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-iodo-4,5-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-iodo-4,5-dimethoxybenzamide;hydrochloride
PubChem CID120653648
Molecular FormulaC14H22ClIN2O3
Molecular Weight428.70 g/mol
Exact Mass428.04
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-iodo-4,5-dimethoxybenzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cc(OC)c(OC)cc1I.Cl
InChIInChI=1S/C14H21IN2O3.ClH/c1-5-16-9(2)8-17-14(18)10-6-12(19-3)13(20-4)7-11(10)15;/h6-7,9,16H,5,8H2,1-4H3,(H,17,18);1H/t9-;/m1./s1
InChIKeyJMSZTJHBHQGRNF-SBSPUUFOSA-N
XLogP2.46
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.70
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3,4-dimethoxybenzamide;hydrochloride
CID 120655264
N-[(2R)-2-(ethylamino)propyl]-2-methoxybenzamide
CID 120650635
N-(2-amino-2-methylpropyl)-2-iodo-4,5-dimethoxybenzamide;hydrochloride
CID 119629327
4,5-dimethoxy-2-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120827462
3-[(2-iodo-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 119177603
4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide
CID 120654617
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethylbenzamide;hydrochloride
CID 120653288
N-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride
CID 120650172
2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride
CID 120651990
N-[(2R)-2-(ethylamino)propyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120654487
N-[(2R)-2-(ethylamino)propyl]-2-(2-methoxyphenyl)acetamide
CID 120652529
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride
CID 120651308

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-iodo-4,5-dimethoxybenzamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-iodo-4,5-dimethoxybenzamide;hydrochloride (CID 120653648) is N-[(2R)-2-(ethylamino)propyl]-2-iodo-4,5-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-iodo-4,5-dimethoxybenzamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-iodo-4,5-dimethoxybenzamide;hydrochloride is CCN[C@H](C)CNC(=O)c1cc(OC)c(OC)cc1I.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-iodo-4,5-dimethoxybenzamide;hydrochloride?
The InChIKey is JMSZTJHBHQGRNF-SBSPUUFOSA-N. The full InChI is InChI=1S/C14H21IN2O3.ClH/c1-5-16-9(2)8-17-14(18)10-6-12(19-3)13(20-4)7-11(10)15;/h6-7,9,16H,5,8H2,1-4H3,(H,17,18);1H/t9-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-iodo-4,5-dimethoxybenzamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-2-iodo-4,5-dimethoxybenzamide;hydrochloride has a molecular weight of 428.70 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-iodo-4,5-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 120653648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).