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

C15H12ClNO3 — CID 3138277

IUPACN-(3-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1COc2ccccc2O1
InChIInChI=1S/C15H12ClNO3/c16-10-4-3-5-11(8-10)17-15(18)14-9-19-12-6-1-2-7-13(12)20-14/h1-8,14H,9H2,(H,17,18)
InChIKeyIQJHEKFWQMWGQT-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.12
Rot. Bonds2

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

N-(3-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 3138277) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID3138277
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC NameN-(3-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1COc2ccccc2O1
InChIInChI=1S/C15H12ClNO3/c16-10-4-3-5-11(8-10)17-15(18)14-9-19-12-6-1-2-7-13(12)20-14/h1-8,14H,9H2,(H,17,18)
InChIKeyIQJHEKFWQMWGQT-UHFFFAOYSA-N
XLogP3.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chlorophenyl)-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

Related Compounds

N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788350
N-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788365
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788367
6-Chloro-2H-1,4-benzoxazin-3(4H)-one
CID 309259
2,3-Dihydro-N-(2-methylphenyl)-1,4-benzodioxin-2-carboxamide
CID 2788358
N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788369
N-(4-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788382
N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788370
2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-
CID 22035
N-(2-chlorophenyl)-2-phenoxyacetamide
CID 309534
N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788330
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2997972

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 3138277) is N-(3-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(Nc1cccc(Cl)c1)C1COc2ccccc2O1.
What is the InChIKey of N-(3-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is IQJHEKFWQMWGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c16-10-4-3-5-11(8-10)17-15(18)14-9-19-12-6-1-2-7-13(12)20-14/h1-8,14H,9H2,(H,17,18).
What are the key properties of N-(3-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(3-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 289.72 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 3138277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).