N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide

C12H17IN2O2 — CID 172648728

IUPACN-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide
SMILESCOc1ccc(I)c(C(=O)NCCN(C)C)c1
InChIInChI=1S/C12H17IN2O2/c1-15(2)7-6-14-12(16)10-8-9(17-3)4-5-11(10)13/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyKBCZYCFMHKHHRK-UHFFFAOYSA-N
MW348.18 g/mol
LogP1.59
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide

N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide (PubChem CID 172648728) has the molecular formula C12H17IN2O2 and a molecular weight of 348.18 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide
PubChem CID172648728
Molecular FormulaC12H17IN2O2
Molecular Weight348.18 g/mol
Exact Mass348.03
IUPAC NameN-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide
SMILESCOc1ccc(I)c(C(=O)NCCN(C)C)c1
InChIInChI=1S/C12H17IN2O2/c1-15(2)7-6-14-12(16)10-8-9(17-3)4-5-11(10)13/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyKBCZYCFMHKHHRK-UHFFFAOYSA-N
XLogP1.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 51.59
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

2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 110763480
N-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide
CID 172648729
2-hydroxy-5-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641545
4-N-(2,4-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045814
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060
N-[2-(dimethylamino)ethyl]-2,4,6-trimethoxybenzamide
CID 110764619
N-[2-(dimethylamino)ethyl]-8-methoxy-2-oxobenzo[h]chromene-3-carboxamide
CID 54752572
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045807
N-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide
CID 119505130
N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide
CID 109252732
1-N-[2-(dimethylamino)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045806
1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide
CID 139892440

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide (CID 172648728) is N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide is COc1ccc(I)c(C(=O)NCCN(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide?
The InChIKey is KBCZYCFMHKHHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O2/c1-15(2)7-6-14-12(16)10-8-9(17-3)4-5-11(10)13/h4-5,8H,6-7H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide?
N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide has a molecular weight of 348.18 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide is sourced from PubChem (CID 172648728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).