N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide

C17H17IN2O3 — CID 39043842

IUPACN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2cccc(I)c2)c1
InChIInChI=1S/C17H17IN2O3/c1-2-19-16(21)11-23-15-8-4-7-14(10-15)20-17(22)12-5-3-6-13(18)9-12/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyMRJPZWUIDYFWFH-UHFFFAOYSA-N
MW424.24 g/mol
LogP3.06
Rot. Bonds6

About N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide

N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide (PubChem CID 39043842) has the molecular formula C17H17IN2O3 and a molecular weight of 424.24 g/mol. Its IUPAC name is N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide
PubChem CID39043842
Molecular FormulaC17H17IN2O3
Molecular Weight424.24 g/mol
Exact Mass424.03
IUPAC NameN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2cccc(I)c2)c1
InChIInChI=1S/C17H17IN2O3/c1-2-19-16(21)11-23-15-8-4-7-14(10-15)20-17(22)12-5-3-6-13(18)9-12/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyMRJPZWUIDYFWFH-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

N-ethyl-2-(3-iodophenoxy)acetamide
CID 35964603
3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 55777943
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide
CID 39044484
3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide
CID 46461277
2-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 39044160
N-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 55655729
N-[2-chloro-5-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 39043632
N-ethyl-2-[3-(methylamino)phenoxy]acetamide
CID 143296990
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 39041372
2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 34875961
2-(3-iodophenoxy)-N-propylacetamide
CID 60626728
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(4-propanoylphenoxy)acetamide
CID 34875030

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide?
The IUPAC name of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide (CID 39043842) is N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide.
What is the SMILES notation for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide?
The canonical SMILES for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide is CCNC(=O)COc1cccc(NC(=O)c2cccc(I)c2)c1.
What is the InChIKey of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide?
The InChIKey is MRJPZWUIDYFWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O3/c1-2-19-16(21)11-23-15-8-4-7-14(10-15)20-17(22)12-5-3-6-13(18)9-12/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide?
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-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-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide is sourced from PubChem (CID 39043842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).