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

C12H14ClNO3 — CID 27648173

IUPAC5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCC(C)NC(=O)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C12H14ClNO3/c1-7(2)14-12(15)8-5-9(13)11-10(6-8)16-3-4-17-11/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyFCTBQWOGHSAHCL-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.25
Rot. Bonds2

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

5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 27648173) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID27648173
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCC(C)NC(=O)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C12H14ClNO3/c1-7(2)14-12(15)8-5-9(13)11-10(6-8)16-3-4-17-11/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyFCTBQWOGHSAHCL-UHFFFAOYSA-N
XLogP2.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-propan-2-yl-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

(2R)-2-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid
CID 54990844
5-chloro-N-[(2S)-5-methylhexan-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 32652358
2-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]-3-hydroxybutanoic acid
CID 43238842
N-butan-2-yl-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 46612079
(2S,3R)-2-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964879
diethyl 2-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanedioate
CID 33245236
5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17394860
6-chloro-N-(1-phenylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 46672343
5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 43236687
5-chloro-N-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 65036686
2-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]-4-hydroxybutanoic acid
CID 61244380
5-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 51938289

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 27648173) is 5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide is CC(C)NC(=O)c1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of 5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is FCTBQWOGHSAHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-7(2)14-12(15)8-5-9(13)11-10(6-8)16-3-4-17-11/h5-7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 255.70 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 27648173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).