N-(4-chlorophenyl)-7-hydroxy-2-iminochromene-3-carboxamide

C16H11ClN2O3 — CID 135516469

IUPACN-(4-chlorophenyl)-7-hydroxy-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O3/c17-10-2-4-11(5-3-10)19-16(21)13-7-9-1-6-12(20)8-14(9)22-15(13)18/h1-8,18,20H,(H,19,21)/b18-15-
InChIKeyIZSZNZIHWFFOMM-SDXDJHTJSA-N
MW314.73 g/mol
LogP3.52
Rot. Bonds2

About N-(4-chlorophenyl)-7-hydroxy-2-iminochromene-3-carboxamide

N-(4-chlorophenyl)-7-hydroxy-2-iminochromene-3-carboxamide (PubChem CID 135516469) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-7-hydroxy-2-iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-7-hydroxy-2-iminochromene-3-carboxamide
PubChem CID135516469
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC NameN-(4-chlorophenyl)-7-hydroxy-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O3/c17-10-2-4-11(5-3-10)19-16(21)13-7-9-1-6-12(20)8-14(9)22-15(13)18/h1-8,18,20H,(H,19,21)/b18-15-
InChIKeyIZSZNZIHWFFOMM-SDXDJHTJSA-N
XLogP3.52
TPSA86.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-7-hydroxy-2-iminochromene-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-7-hydroxy-2-iminochromene-3-carboxamide (CID 135516469) is N-(4-chlorophenyl)-7-hydroxy-2-iminochromene-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-7-hydroxy-2-iminochromene-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-7-hydroxy-2-iminochromene-3-carboxamide is [H]/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-7-hydroxy-2-iminochromene-3-carboxamide?
The InChIKey is IZSZNZIHWFFOMM-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c17-10-2-4-11(5-3-10)19-16(21)13-7-9-1-6-12(20)8-14(9)22-15(13)18/h1-8,18,20H,(H,19,21)/b18-15-.
What are the key properties of N-(4-chlorophenyl)-7-hydroxy-2-iminochromene-3-carboxamide?
N-(4-chlorophenyl)-7-hydroxy-2-iminochromene-3-carboxamide has a molecular weight of 314.73 g/mol, XLogP of 3.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-7-hydroxy-2-iminochromene-3-carboxamide is sourced from PubChem (CID 135516469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).