5-chloro-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C13H16ClNO3 — CID 60651938

IUPAC5-chloro-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCCN(CC)C(=O)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C13H16ClNO3/c1-3-15(4-2)13(16)9-7-10(14)12-11(8-9)17-5-6-18-12/h7-8H,3-6H2,1-2H3
InChIKeySNNDWAHZQCPGQN-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.59
Rot. Bonds3

About 5-chloro-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-chloro-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 60651938) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 5-chloro-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-chloro-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID60651938
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name5-chloro-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCCN(CC)C(=O)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C13H16ClNO3/c1-3-15(4-2)13(16)9-7-10(14)12-11(8-9)17-5-6-18-12/h7-8H,3-6H2,1-2H3
InChIKeySNNDWAHZQCPGQN-UHFFFAOYSA-N
XLogP2.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-7-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

6-chloro-N-[4-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 9193042
5-chloro-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55865449
5-chloro-N-methyl-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 86920331
5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 43236687
7-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 32582610
5-chloro-N-(3-hydroxypentyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 115703757
[3-(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)oxy-2-oxopropyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 31707236
5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 27648173
5-chloro-N-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 65036686
5-chloro-N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 31791583
diethyl 2-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanedioate
CID 33245236
5-chloro-N-[(2S)-5-methylhexan-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 32652358

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-chloro-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 60651938) is 5-chloro-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-chloro-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-chloro-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide is CCN(CC)C(=O)c1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of 5-chloro-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is SNNDWAHZQCPGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-3-15(4-2)13(16)9-7-10(14)12-11(8-9)17-5-6-18-12/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-chloro-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-chloro-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 60651938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).