N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

C23H17ClN2O4 — CID 41489839

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
SMILESO=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C23H17ClN2O4/c24-17-11-14(12-20-22(17)29-10-9-28-20)13-21(27)25-16-7-5-15(6-8-16)23-26-18-3-1-2-4-19(18)30-23/h1-8,11-12H,9-10,13H2,(H,25,27)
InChIKeyCBCKYZQSWLORKK-UHFFFAOYSA-N
MW420.85 g/mol
LogP5.10
Rot. Bonds4

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide (PubChem CID 41489839) has the molecular formula C23H17ClN2O4 and a molecular weight of 420.85 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
PubChem CID41489839
Molecular FormulaC23H17ClN2O4
Molecular Weight420.85 g/mol
Exact Mass420.09
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
SMILESO=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C23H17ClN2O4/c24-17-11-14(12-20-22(17)29-10-9-28-20)13-21(27)25-16-7-5-15(6-8-16)23-26-18-3-1-2-4-19(18)30-23/h1-8,11-12H,9-10,13H2,(H,25,27)
InChIKeyCBCKYZQSWLORKK-UHFFFAOYSA-N
XLogP5.10
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.85
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide with MolForge

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 41107745
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide
CID 51276762
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide
CID 18225429
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 24599401
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide
CID 35053547
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848128
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 1331218
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16838774
N-tert-butyl-4-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]benzamide
CID 55549416
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348156
5-[4-(1,3-benzoxazol-2-yl)anilino]-5-oxopentanoic acid
CID 763458

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide (CID 41489839) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide is O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The InChIKey is CBCKYZQSWLORKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O4/c24-17-11-14(12-20-22(17)29-10-9-28-20)13-21(27)25-16-7-5-15(6-8-16)23-26-18-3-1-2-4-19(18)30-23/h1-8,11-12H,9-10,13H2,(H,25,27).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide has a molecular weight of 420.85 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide is sourced from PubChem (CID 41489839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).