N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide

C23H18ClNO3 — CID 68795382

IUPACN-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide
SMILESO=C(Cc1ccc2oc3ccccc3c2c1)N[C@@H]1CCOc2ccc(Cl)cc21
InChIInChI=1S/C23H18ClNO3/c24-15-6-8-20-18(13-15)19(9-10-27-20)25-23(26)12-14-5-7-22-17(11-14)16-3-1-2-4-21(16)28-22/h1-8,11,13,19H,9-10,12H2,(H,25,26)/t19-/m1/s1
InChIKeyCJINMSNEOZJBEF-LJQANCHMSA-N
MW391.85 g/mol
LogP5.42
Rot. Bonds3

About N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide

N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide (PubChem CID 68795382) has the molecular formula C23H18ClNO3 and a molecular weight of 391.85 g/mol. Its IUPAC name is N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide.

Molecular Properties

Compound NameN-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide
PubChem CID68795382
Molecular FormulaC23H18ClNO3
Molecular Weight391.85 g/mol
Exact Mass391.10
IUPAC NameN-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide
SMILESO=C(Cc1ccc2oc3ccccc3c2c1)N[C@@H]1CCOc2ccc(Cl)cc21
InChIInChI=1S/C23H18ClNO3/c24-15-6-8-20-18(13-15)19(9-10-27-20)25-23(26)12-14-5-7-22-17(11-14)16-3-1-2-4-21(16)28-22/h1-8,11,13,19H,9-10,12H2,(H,25,26)/t19-/m1/s1
InChIKeyCJINMSNEOZJBEF-LJQANCHMSA-N
XLogP5.42
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.85
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide?
The IUPAC name of N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide (CID 68795382) is N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide.
What is the SMILES notation for N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide?
The canonical SMILES for N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide is O=C(Cc1ccc2oc3ccccc3c2c1)N[C@@H]1CCOc2ccc(Cl)cc21.
What is the InChIKey of N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide?
The InChIKey is CJINMSNEOZJBEF-LJQANCHMSA-N. The full InChI is InChI=1S/C23H18ClNO3/c24-15-6-8-20-18(13-15)19(9-10-27-20)25-23(26)12-14-5-7-22-17(11-14)16-3-1-2-4-21(16)28-22/h1-8,11,13,19H,9-10,12H2,(H,25,26)/t19-/m1/s1.
What are the key properties of N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide?
N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide has a molecular weight of 391.85 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide is sourced from PubChem (CID 68795382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).