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

C24H25F2N3O4 — CID 58234990

IUPAC8-[1-(2,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCC(Nc1cc(F)ccc1F)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C24H25F2N3O4/c1-14(27-20-12-16(25)4-5-19(20)26)17-10-15(24(31)28(2)3)11-18-21(30)13-22(33-23(17)18)29-6-8-32-9-7-29/h4-5,10-14,27H,6-9H2,1-3H3
InChIKeyMDHQZDJGSZVTDR-UHFFFAOYSA-N
MW457.48 g/mol
LogP3.78
Rot. Bonds5

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

8-[1-(2,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (PubChem CID 58234990) has the molecular formula C24H25F2N3O4 and a molecular weight of 457.48 g/mol. Its IUPAC name is 8-[1-(2,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.

Molecular Properties

Compound Name8-[1-(2,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
PubChem CID58234990
Molecular FormulaC24H25F2N3O4
Molecular Weight457.48 g/mol
Exact Mass457.18
IUPAC Name8-[1-(2,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCC(Nc1cc(F)ccc1F)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C24H25F2N3O4/c1-14(27-20-12-16(25)4-5-19(20)26)17-10-15(24(31)28(2)3)11-18-21(30)13-22(33-23(17)18)29-6-8-32-9-7-29/h4-5,10-14,27H,6-9H2,1-3H3
InChIKeyMDHQZDJGSZVTDR-UHFFFAOYSA-N
XLogP3.78
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(2,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The IUPAC name of 8-[1-(2,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (CID 58234990) is 8-[1-(2,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.
What is the SMILES notation for 8-[1-(2,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The canonical SMILES for 8-[1-(2,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is CC(Nc1cc(F)ccc1F)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of 8-[1-(2,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The InChIKey is MDHQZDJGSZVTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O4/c1-14(27-20-12-16(25)4-5-19(20)26)17-10-15(24(31)28(2)3)11-18-21(30)13-22(33-23(17)18)29-6-8-32-9-7-29/h4-5,10-14,27H,6-9H2,1-3H3.
What are the key properties of 8-[1-(2,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
8-[1-(2,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide has a molecular weight of 457.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is sourced from PubChem (CID 58234990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).