2-[[2-(3-iodoanilino)-2-oxoethyl]amino]-N-methylacetamide

C11H14IN3O2 — CID 8771974

IUPAC2-[[2-(3-iodoanilino)-2-oxoethyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(=O)Nc1cccc(I)c1
InChIInChI=1S/C11H14IN3O2/c1-13-10(16)6-14-7-11(17)15-9-4-2-3-8(12)5-9/h2-5,14H,6-7H2,1H3,(H,13,16)(H,15,17)
InChIKeySEYJDOJOFXJYNT-UHFFFAOYSA-N
MW347.16 g/mol
LogP0.57
Rot. Bonds5

About 2-[[2-(3-iodoanilino)-2-oxoethyl]amino]-N-methylacetamide

2-[[2-(3-iodoanilino)-2-oxoethyl]amino]-N-methylacetamide (PubChem CID 8771974) has the molecular formula C11H14IN3O2 and a molecular weight of 347.16 g/mol. Its IUPAC name is 2-[[2-(3-iodoanilino)-2-oxoethyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(3-iodoanilino)-2-oxoethyl]amino]-N-methylacetamide
PubChem CID8771974
Molecular FormulaC11H14IN3O2
Molecular Weight347.16 g/mol
Exact Mass347.01
IUPAC Name2-[[2-(3-iodoanilino)-2-oxoethyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(=O)Nc1cccc(I)c1
InChIInChI=1S/C11H14IN3O2/c1-13-10(16)6-14-7-11(17)15-9-4-2-3-8(12)5-9/h2-5,14H,6-7H2,1H3,(H,13,16)(H,15,17)
InChIKeySEYJDOJOFXJYNT-UHFFFAOYSA-N
XLogP0.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid
CID 83194447
2-anilino-N-(3-iodophenyl)acetamide
CID 47107105
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100
3-(3-iodoanilino)-3-oxopropanoic acid
CID 62230564
2-(3-iodoanilino)-N-phenylacetamide
CID 28829964
2-ethyl-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]butanoic acid
CID 79803778
4-hydroxy-N-(3-iodophenyl)butanamide
CID 79204561
N-(3-iodophenyl)octanamide
CID 55026619
N-(3-iodophenyl)-3-methylpentanamide
CID 114874887
N-(3-iodophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26757675
5-hydroxy-N-(3-iodophenyl)pentanamide
CID 79199444
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 106672965

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-iodoanilino)-2-oxoethyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-(3-iodoanilino)-2-oxoethyl]amino]-N-methylacetamide (CID 8771974) is 2-[[2-(3-iodoanilino)-2-oxoethyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(3-iodoanilino)-2-oxoethyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(3-iodoanilino)-2-oxoethyl]amino]-N-methylacetamide is CNC(=O)CNCC(=O)Nc1cccc(I)c1.
What is the InChIKey of 2-[[2-(3-iodoanilino)-2-oxoethyl]amino]-N-methylacetamide?
The InChIKey is SEYJDOJOFXJYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O2/c1-13-10(16)6-14-7-11(17)15-9-4-2-3-8(12)5-9/h2-5,14H,6-7H2,1H3,(H,13,16)(H,15,17).
What are the key properties of 2-[[2-(3-iodoanilino)-2-oxoethyl]amino]-N-methylacetamide?
2-[[2-(3-iodoanilino)-2-oxoethyl]amino]-N-methylacetamide has a molecular weight of 347.16 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-iodoanilino)-2-oxoethyl]amino]-N-methylacetamide is sourced from PubChem (CID 8771974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).