N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-N-(2-iodophenyl)formamide

C16H13IN2O4 — CID 22647651

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-N-(2-iodophenyl)formamide
SMILESO=CN(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1I
InChIInChI=1S/C16H13IN2O4/c17-12-3-1-2-4-13(12)19(10-20)16(21)18-11-5-6-14-15(9-11)23-8-7-22-14/h1-6,9-10H,7-8H2,(H,18,21)
InChIKeyPVVQFLSCVBULOA-UHFFFAOYSA-N
MW424.19 g/mol
LogP3.26
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-N-(2-iodophenyl)formamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-N-(2-iodophenyl)formamide (PubChem CID 22647651) has the molecular formula C16H13IN2O4 and a molecular weight of 424.19 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-N-(2-iodophenyl)formamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-N-(2-iodophenyl)formamide
PubChem CID22647651
Molecular FormulaC16H13IN2O4
Molecular Weight424.19 g/mol
Exact Mass423.99
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-N-(2-iodophenyl)formamide
SMILESO=CN(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1I
InChIInChI=1S/C16H13IN2O4/c17-12-3-1-2-4-13(12)19(10-20)16(21)18-11-5-6-14-15(9-11)23-8-7-22-14/h1-6,9-10H,7-8H2,(H,18,21)
InChIKeyPVVQFLSCVBULOA-UHFFFAOYSA-N
XLogP3.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.19
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-N-(2-iodophenyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)formamide
CID 22647661
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-iodophenyl)carbamoyl]formamide
CID 87843314
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-(5-iodo-2-methylphenyl)formamide
CID 22245940
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide
CID 87843803
N-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide
CID 87890859
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-ethynylphenyl)carbamoyl]formamide
CID 87843542
N-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)acetamide
CID 3943211
[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-iodobenzoate
CID 2509588
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-phenoxyphenyl)urea
CID 110372022
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylprop-2-enamide
CID 732540
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
CID 82127722

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-N-(2-iodophenyl)formamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-N-(2-iodophenyl)formamide (CID 22647651) is N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-N-(2-iodophenyl)formamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-N-(2-iodophenyl)formamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-N-(2-iodophenyl)formamide is O=CN(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1I.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-N-(2-iodophenyl)formamide?
The InChIKey is PVVQFLSCVBULOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O4/c17-12-3-1-2-4-13(12)19(10-20)16(21)18-11-5-6-14-15(9-11)23-8-7-22-14/h1-6,9-10H,7-8H2,(H,18,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-N-(2-iodophenyl)formamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-N-(2-iodophenyl)formamide has a molecular weight of 424.19 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-N-(2-iodophenyl)formamide is sourced from PubChem (CID 22647651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).