N-(3-fluorophenyl)-2-iminochromene-3-carboxamide

C16H11FN2O2 — CID 3938413

IUPACN-(3-fluorophenyl)-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccccc2cc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H11FN2O2/c17-11-5-3-6-12(9-11)19-16(20)13-8-10-4-1-2-7-14(10)21-15(13)18/h1-9,18H,(H,19,20)/b18-15-
InChIKeyUMDHSZZXASPFJD-SDXDJHTJSA-N
MW282.27 g/mol
LogP3.30
Rot. Bonds2

About N-(3-fluorophenyl)-2-iminochromene-3-carboxamide

N-(3-fluorophenyl)-2-iminochromene-3-carboxamide (PubChem CID 3938413) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-iminochromene-3-carboxamide
PubChem CID3938413
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC NameN-(3-fluorophenyl)-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccccc2cc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H11FN2O2/c17-11-5-3-6-12(9-11)19-16(20)13-8-10-4-1-2-7-14(10)21-15(13)18/h1-9,18H,(H,19,20)/b18-15-
InChIKeyUMDHSZZXASPFJD-SDXDJHTJSA-N
XLogP3.30
TPSA66.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-iminochromene-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-iminochromene-3-carboxamide (CID 3938413) is N-(3-fluorophenyl)-2-iminochromene-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-iminochromene-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-iminochromene-3-carboxamide is [H]/N=c1\oc2ccccc2cc1C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-iminochromene-3-carboxamide?
The InChIKey is UMDHSZZXASPFJD-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-11-5-3-6-12(9-11)19-16(20)13-8-10-4-1-2-7-14(10)21-15(13)18/h1-9,18H,(H,19,20)/b18-15-.
What are the key properties of N-(3-fluorophenyl)-2-iminochromene-3-carboxamide?
N-(3-fluorophenyl)-2-iminochromene-3-carboxamide has a molecular weight of 282.27 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-iminochromene-3-carboxamide is sourced from PubChem (CID 3938413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).