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

C24H25ClFN3O4 — CID 52913931

IUPAC8-[1-(3-chloro-4-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCC(Nc1ccc(F)c(Cl)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C24H25ClFN3O4/c1-14(27-16-4-5-20(26)19(25)12-16)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
InChIKeyADQKWHMLZWYXPE-UHFFFAOYSA-N
MW473.93 g/mol
LogP4.30
Rot. Bonds5

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

8-[1-(3-chloro-4-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (PubChem CID 52913931) has the molecular formula C24H25ClFN3O4 and a molecular weight of 473.93 g/mol. Its IUPAC name is 8-[1-(3-chloro-4-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.

Molecular Properties

Compound Name8-[1-(3-chloro-4-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
PubChem CID52913931
Molecular FormulaC24H25ClFN3O4
Molecular Weight473.93 g/mol
Exact Mass473.15
IUPAC Name8-[1-(3-chloro-4-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCC(Nc1ccc(F)c(Cl)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C24H25ClFN3O4/c1-14(27-16-4-5-20(26)19(25)12-16)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
InChIKeyADQKWHMLZWYXPE-UHFFFAOYSA-N
XLogP4.30
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.93
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(3-chloro-4-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The IUPAC name of 8-[1-(3-chloro-4-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (CID 52913931) is 8-[1-(3-chloro-4-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.
What is the SMILES notation for 8-[1-(3-chloro-4-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The canonical SMILES for 8-[1-(3-chloro-4-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is CC(Nc1ccc(F)c(Cl)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of 8-[1-(3-chloro-4-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The InChIKey is ADQKWHMLZWYXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O4/c1-14(27-16-4-5-20(26)19(25)12-16)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-(3-chloro-4-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
8-[1-(3-chloro-4-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide has a molecular weight of 473.93 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(3-chloro-4-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is sourced from PubChem (CID 52913931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).