N-acetyl-8-ethoxy-2-(4-fluorophenyl)iminochromene-3-carboxamide

C20H17FN2O4 — CID 997895

IUPACN-acetyl-8-ethoxy-2-(4-fluorophenyl)iminochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3ccc(F)cc3)oc12
InChIInChI=1S/C20H17FN2O4/c1-3-26-17-6-4-5-13-11-16(19(25)22-12(2)24)20(27-18(13)17)23-15-9-7-14(21)8-10-15/h4-11H,3H2,1-2H3,(H,22,24,25)/b23-20-
InChIKeyUQJKGGZXLGGWNR-ATJXCDBQSA-N
MW368.36 g/mol
LogP3.48
Rot. Bonds4

About N-acetyl-8-ethoxy-2-(4-fluorophenyl)iminochromene-3-carboxamide

N-acetyl-8-ethoxy-2-(4-fluorophenyl)iminochromene-3-carboxamide (PubChem CID 997895) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-acetyl-8-ethoxy-2-(4-fluorophenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-acetyl-8-ethoxy-2-(4-fluorophenyl)iminochromene-3-carboxamide
PubChem CID997895
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC NameN-acetyl-8-ethoxy-2-(4-fluorophenyl)iminochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3ccc(F)cc3)oc12
InChIInChI=1S/C20H17FN2O4/c1-3-26-17-6-4-5-13-11-16(19(25)22-12(2)24)20(27-18(13)17)23-15-9-7-14(21)8-10-15/h4-11H,3H2,1-2H3,(H,22,24,25)/b23-20-
InChIKeyUQJKGGZXLGGWNR-ATJXCDBQSA-N
XLogP3.48
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-8-ethoxy-2-(4-fluorophenyl)iminochromene-3-carboxamide?
The IUPAC name of N-acetyl-8-ethoxy-2-(4-fluorophenyl)iminochromene-3-carboxamide (CID 997895) is N-acetyl-8-ethoxy-2-(4-fluorophenyl)iminochromene-3-carboxamide.
What is the SMILES notation for N-acetyl-8-ethoxy-2-(4-fluorophenyl)iminochromene-3-carboxamide?
The canonical SMILES for N-acetyl-8-ethoxy-2-(4-fluorophenyl)iminochromene-3-carboxamide is CCOc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3ccc(F)cc3)oc12.
What is the InChIKey of N-acetyl-8-ethoxy-2-(4-fluorophenyl)iminochromene-3-carboxamide?
The InChIKey is UQJKGGZXLGGWNR-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-3-26-17-6-4-5-13-11-16(19(25)22-12(2)24)20(27-18(13)17)23-15-9-7-14(21)8-10-15/h4-11H,3H2,1-2H3,(H,22,24,25)/b23-20-.
What are the key properties of N-acetyl-8-ethoxy-2-(4-fluorophenyl)iminochromene-3-carboxamide?
N-acetyl-8-ethoxy-2-(4-fluorophenyl)iminochromene-3-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-8-ethoxy-2-(4-fluorophenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 997895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).