2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide

C19H24IN3O — CID 55898056

IUPAC2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide
SMILESCCN(CC)Cc1ccccc1NCC(=O)Nc1ccccc1I
InChIInChI=1S/C19H24IN3O/c1-3-23(4-2)14-15-9-5-7-11-17(15)21-13-19(24)22-18-12-8-6-10-16(18)20/h5-12,21H,3-4,13-14H2,1-2H3,(H,22,24)
InChIKeyVENLHJLZQHXOGX-UHFFFAOYSA-N
MW437.33 g/mol
LogP4.18
Rot. Bonds8

About 2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide

2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide (PubChem CID 55898056) has the molecular formula C19H24IN3O and a molecular weight of 437.33 g/mol. Its IUPAC name is 2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide
PubChem CID55898056
Molecular FormulaC19H24IN3O
Molecular Weight437.33 g/mol
Exact Mass437.10
IUPAC Name2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide
SMILESCCN(CC)Cc1ccccc1NCC(=O)Nc1ccccc1I
InChIInChI=1S/C19H24IN3O/c1-3-23(4-2)14-15-9-5-7-11-17(15)21-13-19(24)22-18-12-8-6-10-16(18)20/h5-12,21H,3-4,13-14H2,1-2H3,(H,22,24)
InChIKeyVENLHJLZQHXOGX-UHFFFAOYSA-N
XLogP4.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-[2-(diethylaminomethyl)anilino]acetyl]amino]benzoate
CID 60536782
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(diethylaminomethyl)anilino]acetamide
CID 55897928
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(diethylaminomethyl)anilino]acetamide
CID 60536649
2-[2-(diethylaminomethyl)anilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 60536828
N-[2-(diethylaminomethyl)phenyl]-2-methoxyacetamide
CID 60794575
ethyl N-[2-(diethylaminomethyl)phenyl]carbamate
CID 61215408
2-(N-ethyl-2-methylanilino)-N-(2-iodophenyl)acetamide
CID 55434677
1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea
CID 108868960
2-acetamido-N-(2-iodophenyl)acetamide
CID 60635742
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide
CID 8907392
2-(2-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 9105155
3-[2-(diethylaminomethyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114898009

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide (CID 55898056) is 2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide is CCN(CC)Cc1ccccc1NCC(=O)Nc1ccccc1I.
What is the InChIKey of 2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide?
The InChIKey is VENLHJLZQHXOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24IN3O/c1-3-23(4-2)14-15-9-5-7-11-17(15)21-13-19(24)22-18-12-8-6-10-16(18)20/h5-12,21H,3-4,13-14H2,1-2H3,(H,22,24).
What are the key properties of 2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide?
2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide has a molecular weight of 437.33 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 55898056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).