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

C24H25F2N3O4 — CID 58235030

IUPAC8-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCC(Nc1cccc(F)c1F)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C24H25F2N3O4/c1-14(27-19-6-4-5-18(25)22(19)26)16-11-15(24(31)28(2)3)12-17-20(30)13-21(33-23(16)17)29-7-9-32-10-8-29/h4-6,11-14,27H,7-10H2,1-3H3
InChIKeyYPPFBBFBBIOYGM-UHFFFAOYSA-N
MW457.48 g/mol
LogP3.78
Rot. Bonds5

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

8-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (PubChem CID 58235030) has the molecular formula C24H25F2N3O4 and a molecular weight of 457.48 g/mol. Its IUPAC name is 8-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.

Molecular Properties

Compound Name8-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
PubChem CID58235030
Molecular FormulaC24H25F2N3O4
Molecular Weight457.48 g/mol
Exact Mass457.18
IUPAC Name8-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCC(Nc1cccc(F)c1F)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C24H25F2N3O4/c1-14(27-19-6-4-5-18(25)22(19)26)16-11-15(24(31)28(2)3)12-17-20(30)13-21(33-23(16)17)29-7-9-32-10-8-29/h4-6,11-14,27H,7-10H2,1-3H3
InChIKeyYPPFBBFBBIOYGM-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

Analyze 8-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The IUPAC name of 8-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (CID 58235030) is 8-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.
What is the SMILES notation for 8-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The canonical SMILES for 8-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is CC(Nc1cccc(F)c1F)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of 8-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The InChIKey is YPPFBBFBBIOYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O4/c1-14(27-19-6-4-5-18(25)22(19)26)16-11-15(24(31)28(2)3)12-17-20(30)13-21(33-23(16)17)29-7-9-32-10-8-29/h4-6,11-14,27H,7-10H2,1-3H3.
What are the key properties of 8-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
8-[1-(2,3-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-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is sourced from PubChem (CID 58235030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).