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

C16H9Cl2FN2O2 — CID 4223470

IUPAC6,8-dichloro-N-(4-fluorophenyl)-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2c(Cl)cc(Cl)cc2cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H9Cl2FN2O2/c17-9-5-8-6-12(15(20)23-14(8)13(18)7-9)16(22)21-11-3-1-10(19)2-4-11/h1-7,20H,(H,21,22)/b20-15-
InChIKeyPAHSITQUUXOJDF-HKWRFOASSA-N
MW351.16 g/mol
LogP4.61
Rot. Bonds2

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

6,8-dichloro-N-(4-fluorophenyl)-2-iminochromene-3-carboxamide (PubChem CID 4223470) has the molecular formula C16H9Cl2FN2O2 and a molecular weight of 351.16 g/mol. Its IUPAC name is 6,8-dichloro-N-(4-fluorophenyl)-2-iminochromene-3-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-N-(4-fluorophenyl)-2-iminochromene-3-carboxamide
PubChem CID4223470
Molecular FormulaC16H9Cl2FN2O2
Molecular Weight351.16 g/mol
Exact Mass350.00
IUPAC Name6,8-dichloro-N-(4-fluorophenyl)-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2c(Cl)cc(Cl)cc2cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H9Cl2FN2O2/c17-9-5-8-6-12(15(20)23-14(8)13(18)7-9)16(22)21-11-3-1-10(19)2-4-11/h1-7,20H,(H,21,22)/b20-15-
InChIKeyPAHSITQUUXOJDF-HKWRFOASSA-N
XLogP4.61
TPSA66.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(4-fluorophenyl)-2-iminochromene-3-carboxamide?
The IUPAC name of 6,8-dichloro-N-(4-fluorophenyl)-2-iminochromene-3-carboxamide (CID 4223470) is 6,8-dichloro-N-(4-fluorophenyl)-2-iminochromene-3-carboxamide.
What is the SMILES notation for 6,8-dichloro-N-(4-fluorophenyl)-2-iminochromene-3-carboxamide?
The canonical SMILES for 6,8-dichloro-N-(4-fluorophenyl)-2-iminochromene-3-carboxamide is [H]/N=c1\oc2c(Cl)cc(Cl)cc2cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 6,8-dichloro-N-(4-fluorophenyl)-2-iminochromene-3-carboxamide?
The InChIKey is PAHSITQUUXOJDF-HKWRFOASSA-N. The full InChI is InChI=1S/C16H9Cl2FN2O2/c17-9-5-8-6-12(15(20)23-14(8)13(18)7-9)16(22)21-11-3-1-10(19)2-4-11/h1-7,20H,(H,21,22)/b20-15-.
What are the key properties of 6,8-dichloro-N-(4-fluorophenyl)-2-iminochromene-3-carboxamide?
6,8-dichloro-N-(4-fluorophenyl)-2-iminochromene-3-carboxamide has a molecular weight of 351.16 g/mol, XLogP of 4.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(4-fluorophenyl)-2-iminochromene-3-carboxamide is sourced from PubChem (CID 4223470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).