N-acetyl-7-(diethylamino)-2-(3-fluorophenyl)iminochromene-3-carboxamide

C22H22FN3O3 — CID 997820

IUPACN-acetyl-7-(diethylamino)-2-(3-fluorophenyl)iminochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)NC(C)=O)/c(=N/c3cccc(F)c3)oc2c1
InChIInChI=1S/C22H22FN3O3/c1-4-26(5-2)18-10-9-15-11-19(21(28)24-14(3)27)22(29-20(15)13-18)25-17-8-6-7-16(23)12-17/h6-13H,4-5H2,1-3H3,(H,24,27,28)/b25-22-
InChIKeySDBBYLLRRZSNOY-LVWGJNHUSA-N
MW395.43 g/mol
LogP3.93
Rot. Bonds5

About N-acetyl-7-(diethylamino)-2-(3-fluorophenyl)iminochromene-3-carboxamide

N-acetyl-7-(diethylamino)-2-(3-fluorophenyl)iminochromene-3-carboxamide (PubChem CID 997820) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-acetyl-7-(diethylamino)-2-(3-fluorophenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-acetyl-7-(diethylamino)-2-(3-fluorophenyl)iminochromene-3-carboxamide
PubChem CID997820
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-acetyl-7-(diethylamino)-2-(3-fluorophenyl)iminochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)NC(C)=O)/c(=N/c3cccc(F)c3)oc2c1
InChIInChI=1S/C22H22FN3O3/c1-4-26(5-2)18-10-9-15-11-19(21(28)24-14(3)27)22(29-20(15)13-18)25-17-8-6-7-16(23)12-17/h6-13H,4-5H2,1-3H3,(H,24,27,28)/b25-22-
InChIKeySDBBYLLRRZSNOY-LVWGJNHUSA-N
XLogP3.93
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-7-(diethylamino)-2-(3-fluorophenyl)iminochromene-3-carboxamide?
The IUPAC name of N-acetyl-7-(diethylamino)-2-(3-fluorophenyl)iminochromene-3-carboxamide (CID 997820) is N-acetyl-7-(diethylamino)-2-(3-fluorophenyl)iminochromene-3-carboxamide.
What is the SMILES notation for N-acetyl-7-(diethylamino)-2-(3-fluorophenyl)iminochromene-3-carboxamide?
The canonical SMILES for N-acetyl-7-(diethylamino)-2-(3-fluorophenyl)iminochromene-3-carboxamide is CCN(CC)c1ccc2cc(C(=O)NC(C)=O)/c(=N/c3cccc(F)c3)oc2c1.
What is the InChIKey of N-acetyl-7-(diethylamino)-2-(3-fluorophenyl)iminochromene-3-carboxamide?
The InChIKey is SDBBYLLRRZSNOY-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-4-26(5-2)18-10-9-15-11-19(21(28)24-14(3)27)22(29-20(15)13-18)25-17-8-6-7-16(23)12-17/h6-13H,4-5H2,1-3H3,(H,24,27,28)/b25-22-.
What are the key properties of N-acetyl-7-(diethylamino)-2-(3-fluorophenyl)iminochromene-3-carboxamide?
N-acetyl-7-(diethylamino)-2-(3-fluorophenyl)iminochromene-3-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-7-(diethylamino)-2-(3-fluorophenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 997820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).