N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C16H14ClNO3 — CID 2788367

IUPACN-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1COc2ccccc2O1
InChIInChI=1S/C16H14ClNO3/c1-10-11(17)5-4-6-12(10)18-16(19)15-9-20-13-7-2-3-8-14(13)21-15/h2-8,15H,9H2,1H3,(H,18,19)
InChIKeyOKXLPJUSQTXVTJ-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.43
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2788367) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2788367
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC NameN-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1COc2ccccc2O1
InChIInChI=1S/C16H14ClNO3/c1-10-11(17)5-4-6-12(10)18-16(19)15-9-20-13-7-2-3-8-14(13)21-15/h2-8,15H,9H2,1H3,(H,18,19)
InChIKeyOKXLPJUSQTXVTJ-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2788367) is N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is Cc1c(Cl)cccc1NC(=O)C1COc2ccccc2O1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is OKXLPJUSQTXVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-10-11(17)5-4-6-12(10)18-16(19)15-9-20-13-7-2-3-8-14(13)21-15/h2-8,15H,9H2,1H3,(H,18,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2788367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).