2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyanophenyl)-N-propan-2-ylacetamide

C20H19ClN2O3 — CID 60615348

IUPAC2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyanophenyl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1cccc(C#N)c1
InChIInChI=1S/C20H19ClN2O3/c1-13(2)23(16-5-3-4-14(8-16)12-22)19(24)11-15-9-17(21)20-18(10-15)25-6-7-26-20/h3-5,8-10,13H,6-7,11H2,1-2H3
InChIKeyIRKCFHDZZIAOAU-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.97
Rot. Bonds4

About 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyanophenyl)-N-propan-2-ylacetamide

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyanophenyl)-N-propan-2-ylacetamide (PubChem CID 60615348) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyanophenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyanophenyl)-N-propan-2-ylacetamide
PubChem CID60615348
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyanophenyl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1cccc(C#N)c1
InChIInChI=1S/C20H19ClN2O3/c1-13(2)23(16-5-3-4-14(8-16)12-22)19(24)11-15-9-17(21)20-18(10-15)25-6-7-26-20/h3-5,8-10,13H,6-7,11H2,1-2H3
InChIKeyIRKCFHDZZIAOAU-UHFFFAOYSA-N
XLogP3.97
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide
CID 39861213
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N,N-bis(2-cyanoethyl)acetamide
CID 51095530
N-(3-cyanophenyl)-2-(3-phenylpropylsulfonyl)-N-propan-2-ylacetamide
CID 60615525
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 51130616
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 60598859
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 92752487
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N,N-bis(prop-2-enyl)acetamide
CID 134031517
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 31947654
N-(3-cyanophenyl)-N,4-dimethylpentanamide
CID 60588260
N-(3-amino-4-methylpentyl)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylacetamide;hydrochloride
CID 119658902
3-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
CID 18082586
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylacetamide
CID 55957420

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyanophenyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyanophenyl)-N-propan-2-ylacetamide (CID 60615348) is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyanophenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyanophenyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyanophenyl)-N-propan-2-ylacetamide is CC(C)N(C(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1cccc(C#N)c1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyanophenyl)-N-propan-2-ylacetamide?
The InChIKey is IRKCFHDZZIAOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-13(2)23(16-5-3-4-14(8-16)12-22)19(24)11-15-9-17(21)20-18(10-15)25-6-7-26-20/h3-5,8-10,13H,6-7,11H2,1-2H3.
What are the key properties of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyanophenyl)-N-propan-2-ylacetamide?
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyanophenyl)-N-propan-2-ylacetamide has a molecular weight of 370.84 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyanophenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 60615348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).