N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide

C15H13IN2O3 — CID 4806518

IUPACN-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide
SMILESO=C(CNc1ccc(I)cc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13IN2O3/c16-10-1-3-11(4-2-10)17-8-15(19)18-12-5-6-13-14(7-12)21-9-20-13/h1-7,17H,8-9H2,(H,18,19)
InChIKeyXVEKGFLFFXCPOY-UHFFFAOYSA-N
MW396.18 g/mol
LogP3.07
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide (PubChem CID 4806518) has the molecular formula C15H13IN2O3 and a molecular weight of 396.18 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide
PubChem CID4806518
Molecular FormulaC15H13IN2O3
Molecular Weight396.18 g/mol
Exact Mass396.00
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide
SMILESO=C(CNc1ccc(I)cc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13IN2O3/c16-10-1-3-11(4-2-10)17-8-15(19)18-12-5-6-13-14(7-12)21-9-20-13/h1-7,17H,8-9H2,(H,18,19)
InChIKeyXVEKGFLFFXCPOY-UHFFFAOYSA-N
XLogP3.07
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.18
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide
CID 109009383
N-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide
CID 109010719
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994545
N-(1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
CID 803627
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide
CID 26439030
N-(1,3-benzodioxol-5-yl)-2-(4-cyclopropyl-3-fluoroanilino)acetamide
CID 119047338
N-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylanilino)propanamide
CID 109035569
N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide
CID 86930980
N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide
CID 2560584
N-(1,3-benzodioxol-5-yl)-2-(2-cyanoanilino)acetamide
CID 109010915
N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide
CID 9265362

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide (CID 4806518) is N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide is O=C(CNc1ccc(I)cc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide?
The InChIKey is XVEKGFLFFXCPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O3/c16-10-1-3-11(4-2-10)17-8-15(19)18-12-5-6-13-14(7-12)21-9-20-13/h1-7,17H,8-9H2,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide has a molecular weight of 396.18 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide is sourced from PubChem (CID 4806518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).