8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide

C24H25F2N3O4 — CID 58235033

IUPAC8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCCNC(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C24H25F2N3O4/c1-3-27-24(31)15-8-19(14(2)28-18-11-16(25)10-17(26)12-18)23-20(9-15)21(30)13-22(33-23)29-4-6-32-7-5-29/h8-14,28H,3-7H2,1-2H3,(H,27,31)
InChIKeyBHDAOCAOTBBVOL-UHFFFAOYSA-N
MW457.48 g/mol
LogP3.83
Rot. Bonds6

About 8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide

8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (PubChem CID 58235033) has the molecular formula C24H25F2N3O4 and a molecular weight of 457.48 g/mol. Its IUPAC name is 8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.

Molecular Properties

Compound Name8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
PubChem CID58235033
Molecular FormulaC24H25F2N3O4
Molecular Weight457.48 g/mol
Exact Mass457.18
IUPAC Name8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCCNC(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C24H25F2N3O4/c1-3-27-24(31)15-8-19(14(2)28-18-11-16(25)10-17(26)12-18)23-20(9-15)21(30)13-22(33-23)29-4-6-32-7-5-29/h8-14,28H,3-7H2,1-2H3,(H,27,31)
InChIKeyBHDAOCAOTBBVOL-UHFFFAOYSA-N
XLogP3.83
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The IUPAC name of 8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (CID 58235033) is 8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.
What is the SMILES notation for 8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The canonical SMILES for 8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is CCNC(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(N3CCOCC3)cc(=O)c2c1.
What is the InChIKey of 8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The InChIKey is BHDAOCAOTBBVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O4/c1-3-27-24(31)15-8-19(14(2)28-18-11-16(25)10-17(26)12-18)23-20(9-15)21(30)13-22(33-23)29-4-6-32-7-5-29/h8-14,28H,3-7H2,1-2H3,(H,27,31).
What are the key properties of 8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide has a molecular weight of 457.48 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is sourced from PubChem (CID 58235033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).