[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate

C23H18ClNO5 — CID 4802218

IUPAC[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
SMILESCOc1cc2c(cc1NC(=O)C(C)OC(=O)c1ccccc1Cl)oc1ccccc12
InChIInChI=1S/C23H18ClNO5/c1-13(29-23(27)15-8-3-5-9-17(15)24)22(26)25-18-12-20-16(11-21(18)28-2)14-7-4-6-10-19(14)30-20/h3-13H,1-2H3,(H,25,26)
InChIKeyJKDTUVCGTZEBOQ-UHFFFAOYSA-N
MW423.85 g/mol
LogP5.43
Rot. Bonds5

About [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate

[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate (PubChem CID 4802218) has the molecular formula C23H18ClNO5 and a molecular weight of 423.85 g/mol. Its IUPAC name is [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate.

Molecular Properties

Compound Name[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
PubChem CID4802218
Molecular FormulaC23H18ClNO5
Molecular Weight423.85 g/mol
Exact Mass423.09
IUPAC Name[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
SMILESCOc1cc2c(cc1NC(=O)C(C)OC(=O)c1ccccc1Cl)oc1ccccc12
InChIInChI=1S/C23H18ClNO5/c1-13(29-23(27)15-8-3-5-9-17(15)24)22(26)25-18-12-20-16(11-21(18)28-2)14-7-4-6-10-19(14)30-20/h3-13H,1-2H3,(H,25,26)
InChIKeyJKDTUVCGTZEBOQ-UHFFFAOYSA-N
XLogP5.43
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.85
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate
CID 7811454
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-aminobenzoate
CID 7890835
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 7783804
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 3980526
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 2098410
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate
CID 4987416
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717571
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-(dimethylamino)benzoate
CID 41152870
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 98383221
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821691
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821695
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 3996422

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate?
The IUPAC name of [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate (CID 4802218) is [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate.
What is the SMILES notation for [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate?
The canonical SMILES for [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate is COc1cc2c(cc1NC(=O)C(C)OC(=O)c1ccccc1Cl)oc1ccccc12.
What is the InChIKey of [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate?
The InChIKey is JKDTUVCGTZEBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO5/c1-13(29-23(27)15-8-3-5-9-17(15)24)22(26)25-18-12-20-16(11-21(18)28-2)14-7-4-6-10-19(14)30-20/h3-13H,1-2H3,(H,25,26).
What are the key properties of [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate?
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate has a molecular weight of 423.85 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate is sourced from PubChem (CID 4802218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).