N-acetyl-6,8-dichloro-2-(4-fluorophenyl)iminochromene-3-carboxamide

C18H11Cl2FN2O3 — CID 3487820

IUPACN-acetyl-6,8-dichloro-2-(4-fluorophenyl)iminochromene-3-carboxamide
SMILESCC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1ccc(F)cc1
InChIInChI=1S/C18H11Cl2FN2O3/c1-9(24)22-17(25)14-7-10-6-11(19)8-15(20)16(10)26-18(14)23-13-4-2-12(21)3-5-13/h2-8H,1H3,(H,22,24,25)/b23-18-
InChIKeyBCPWNZOMRXNGPY-NKFKGCMQSA-N
MW393.20 g/mol
LogP4.39
Rot. Bonds2

About N-acetyl-6,8-dichloro-2-(4-fluorophenyl)iminochromene-3-carboxamide

N-acetyl-6,8-dichloro-2-(4-fluorophenyl)iminochromene-3-carboxamide (PubChem CID 3487820) has the molecular formula C18H11Cl2FN2O3 and a molecular weight of 393.20 g/mol. Its IUPAC name is N-acetyl-6,8-dichloro-2-(4-fluorophenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-acetyl-6,8-dichloro-2-(4-fluorophenyl)iminochromene-3-carboxamide
PubChem CID3487820
Molecular FormulaC18H11Cl2FN2O3
Molecular Weight393.20 g/mol
Exact Mass392.01
IUPAC NameN-acetyl-6,8-dichloro-2-(4-fluorophenyl)iminochromene-3-carboxamide
SMILESCC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1ccc(F)cc1
InChIInChI=1S/C18H11Cl2FN2O3/c1-9(24)22-17(25)14-7-10-6-11(19)8-15(20)16(10)26-18(14)23-13-4-2-12(21)3-5-13/h2-8H,1H3,(H,22,24,25)/b23-18-
InChIKeyBCPWNZOMRXNGPY-NKFKGCMQSA-N
XLogP4.39
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.20
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-6,8-dichloro-2-(4-fluorophenyl)iminochromene-3-carboxamide?
The IUPAC name of N-acetyl-6,8-dichloro-2-(4-fluorophenyl)iminochromene-3-carboxamide (CID 3487820) is N-acetyl-6,8-dichloro-2-(4-fluorophenyl)iminochromene-3-carboxamide.
What is the SMILES notation for N-acetyl-6,8-dichloro-2-(4-fluorophenyl)iminochromene-3-carboxamide?
The canonical SMILES for N-acetyl-6,8-dichloro-2-(4-fluorophenyl)iminochromene-3-carboxamide is CC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1ccc(F)cc1.
What is the InChIKey of N-acetyl-6,8-dichloro-2-(4-fluorophenyl)iminochromene-3-carboxamide?
The InChIKey is BCPWNZOMRXNGPY-NKFKGCMQSA-N. The full InChI is InChI=1S/C18H11Cl2FN2O3/c1-9(24)22-17(25)14-7-10-6-11(19)8-15(20)16(10)26-18(14)23-13-4-2-12(21)3-5-13/h2-8H,1H3,(H,22,24,25)/b23-18-.
What are the key properties of N-acetyl-6,8-dichloro-2-(4-fluorophenyl)iminochromene-3-carboxamide?
N-acetyl-6,8-dichloro-2-(4-fluorophenyl)iminochromene-3-carboxamide has a molecular weight of 393.20 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-6,8-dichloro-2-(4-fluorophenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 3487820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).