N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide

C17H17IN2O3 — CID 32937991

IUPACN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C17H17IN2O3/c1-2-19-16(21)11-23-13-9-7-12(8-10-13)20-17(22)14-5-3-4-6-15(14)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyGFFNVKSFJAXWJT-UHFFFAOYSA-N
MW424.24 g/mol
LogP3.06
Rot. Bonds6

About N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide (PubChem CID 32937991) has the molecular formula C17H17IN2O3 and a molecular weight of 424.24 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide
PubChem CID32937991
Molecular FormulaC17H17IN2O3
Molecular Weight424.24 g/mol
Exact Mass424.03
IUPAC NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C17H17IN2O3/c1-2-19-16(21)11-23-13-9-7-12(8-10-13)20-17(22)14-5-3-4-6-15(14)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyGFFNVKSFJAXWJT-UHFFFAOYSA-N
XLogP3.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.24
LogP ≤ 53.06
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

2-iodo-N-(4-propoxyphenyl)benzamide
CID 4942969
2-[4-[(2-iodobenzoyl)amino]phenoxy]acetate
CID 7324626
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32940179
2-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 615692
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-3-nitrobenzamide
CID 32938409
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-hydroxy-5-methylbenzamide
CID 32937197
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-hydroxy-4-methylbenzamide
CID 38497709
5-bromo-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-hydroxybenzamide
CID 32938270
2-iodo-N-(4-phenoxyphenyl)benzamide
CID 1010138
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide
CID 32937835
2-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 39044160
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide
CID 32941425

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide?
The IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide (CID 32937991) is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide?
The canonical SMILES for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide is CCNC(=O)COc1ccc(NC(=O)c2ccccc2I)cc1.
What is the InChIKey of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide?
The InChIKey is GFFNVKSFJAXWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O3/c1-2-19-16(21)11-23-13-9-7-12(8-10-13)20-17(22)14-5-3-4-6-15(14)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide?
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide has a molecular weight of 424.24 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide is sourced from PubChem (CID 32937991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).