[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate

C21H19F2NO5 — CID 8821543

IUPAC[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESO=C(COC(=O)C1=Cc2ccccc2OC1)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H19F2NO5/c22-21(23)29-17-7-5-14(6-8-17)9-10-24-19(25)13-28-20(26)16-11-15-3-1-2-4-18(15)27-12-16/h1-8,11,21H,9-10,12-13H2,(H,24,25)
InChIKeyIXKZHGXTAUQKCI-UHFFFAOYSA-N
MW403.38 g/mol
LogP2.97
Rot. Bonds8

About [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate

[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate (PubChem CID 8821543) has the molecular formula C21H19F2NO5 and a molecular weight of 403.38 g/mol. Its IUPAC name is [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
PubChem CID8821543
Molecular FormulaC21H19F2NO5
Molecular Weight403.38 g/mol
Exact Mass403.12
IUPAC Name[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESO=C(COC(=O)C1=Cc2ccccc2OC1)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H19F2NO5/c22-21(23)29-17-7-5-14(6-8-17)9-10-24-19(25)13-28-20(26)16-11-15-3-1-2-4-18(15)27-12-16/h1-8,11,21H,9-10,12-13H2,(H,24,25)
InChIKeyIXKZHGXTAUQKCI-UHFFFAOYSA-N
XLogP2.97
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 24981343
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate
CID 8748008
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 9201386
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 35386075
[2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8743856
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 3-fluorobenzoate
CID 9198602
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 2H-chromene-3-carboxylate
CID 7441797
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8747153
[2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742118
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741829
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
[2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741779

Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The IUPAC name of [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate (CID 8821543) is [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The canonical SMILES for [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate is O=C(COC(=O)C1=Cc2ccccc2OC1)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The InChIKey is IXKZHGXTAUQKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO5/c22-21(23)29-17-7-5-14(6-8-17)9-10-24-19(25)13-28-20(26)16-11-15-3-1-2-4-18(15)27-12-16/h1-8,11,21H,9-10,12-13H2,(H,24,25).
What are the key properties of [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate?
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate has a molecular weight of 403.38 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 8821543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).