5-chloro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C22H19ClN2O4 — CID 55707283

IUPAC5-chloro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESO=C(NCc1ccnc(OCc2ccccc2)c1)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C22H19ClN2O4/c23-18-11-17(12-19-21(18)28-9-8-27-19)22(26)25-13-16-6-7-24-20(10-16)29-14-15-4-2-1-3-5-15/h1-7,10-12H,8-9,13-14H2,(H,25,26)
InChIKeyZPOYEESNRFAHHZ-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.02
Rot. Bonds6

About 5-chloro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-chloro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 55707283) has the molecular formula C22H19ClN2O4 and a molecular weight of 410.86 g/mol. Its IUPAC name is 5-chloro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID55707283
Molecular FormulaC22H19ClN2O4
Molecular Weight410.86 g/mol
Exact Mass410.10
IUPAC Name5-chloro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESO=C(NCc1ccnc(OCc2ccccc2)c1)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C22H19ClN2O4/c23-18-11-17(12-19-21(18)28-9-8-27-19)22(26)25-13-16-6-7-24-20(10-16)29-14-15-4-2-1-3-5-15/h1-7,10-12H,8-9,13-14H2,(H,25,26)
InChIKeyZPOYEESNRFAHHZ-UHFFFAOYSA-N
XLogP4.02
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide with MolForge

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Related Compounds

N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
N-[(2-phenylmethoxy-4-pyridinyl)methyl]furan-3-carboxamide
CID 46475605
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18155595
6-chloro-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 37312968
5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 27540023
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
CID 46469686
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]quinoline-4-carboxamide
CID 112821366
2-(4-chlorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707148
N-benzyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777041
2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46469673
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18167334
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide
CID 46475730

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-chloro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 55707283) is 5-chloro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-chloro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is O=C(NCc1ccnc(OCc2ccccc2)c1)c1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of 5-chloro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is ZPOYEESNRFAHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O4/c23-18-11-17(12-19-21(18)28-9-8-27-19)22(26)25-13-16-6-7-24-20(10-16)29-14-15-4-2-1-3-5-15/h1-7,10-12H,8-9,13-14H2,(H,25,26).
What are the key properties of 5-chloro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-chloro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 410.86 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 55707283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).