2-(3-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide

C21H15FN2O3 — CID 51367537

IUPAC2-(3-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide
SMILESO=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1cccc(F)c1
InChIInChI=1S/C21H15FN2O3/c22-15-6-3-7-16(12-15)24-21-18(11-14-5-1-2-9-19(14)27-21)20(25)23-13-17-8-4-10-26-17/h1-12H,13H2,(H,23,25)/b24-21-
InChIKeyWNKBECMKBFCYCV-FLFQWRMESA-N
MW362.36 g/mol
LogP4.33
Rot. Bonds4

About 2-(3-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide

2-(3-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide (PubChem CID 51367537) has the molecular formula C21H15FN2O3 and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide
PubChem CID51367537
Molecular FormulaC21H15FN2O3
Molecular Weight362.36 g/mol
Exact Mass362.11
IUPAC Name2-(3-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide
SMILESO=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1cccc(F)c1
InChIInChI=1S/C21H15FN2O3/c22-15-6-3-7-16(12-15)24-21-18(11-14-5-1-2-9-19(14)27-21)20(25)23-13-17-8-4-10-26-17/h1-12H,13H2,(H,23,25)/b24-21-
InChIKeyWNKBECMKBFCYCV-FLFQWRMESA-N
XLogP4.33
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide
CID 51367538
2-(3-ethylphenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide
CID 51367519
2-(2,3-dimethylphenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide
CID 51367522
N-(furan-2-ylmethyl)-7-hydroxy-2-(3-propan-2-ylphenyl)iminochromene-3-carboxamide
CID 135631791
2-(4-fluoro-2-methylphenyl)imino-N-(furan-2-ylmethyl)-8-methoxychromene-3-carboxamide
CID 51368279
2-(3,5-difluorophenyl)imino-N-phenylchromene-3-carboxamide
CID 51367987
2-(2,3-dimethylphenyl)imino-N-(furan-2-ylmethyl)-7-hydroxychromene-3-carboxamide
CID 135531856
2-(2,5-dimethylphenyl)imino-N-(furan-2-ylmethyl)-7-hydroxychromene-3-carboxamide
CID 135631792
N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110745473
2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 135631749
N-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide
CID 17100606
6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide
CID 110464446

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide (CID 51367537) is 2-(3-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide is O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is WNKBECMKBFCYCV-FLFQWRMESA-N. The full InChI is InChI=1S/C21H15FN2O3/c22-15-6-3-7-16(12-15)24-21-18(11-14-5-1-2-9-19(14)27-21)20(25)23-13-17-8-4-10-26-17/h1-12H,13H2,(H,23,25)/b24-21-.
What are the key properties of 2-(3-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide?
2-(3-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 51367537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).