N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide

C17H13FN2O3 — CID 175012801

IUPACN-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NN=Cc2cccc(F)c2)oc2cccc(O)c12
InChIInChI=1S/C17H13FN2O3/c1-10-15-13(21)6-3-7-14(15)23-16(10)17(22)20-19-9-11-4-2-5-12(18)8-11/h2-9,21H,1H3,(H,20,22)
InChIKeySGZHVTDXGJNNTP-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.35
Rot. Bonds3

About N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide

N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 175012801) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID175012801
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC NameN-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NN=Cc2cccc(F)c2)oc2cccc(O)c12
InChIInChI=1S/C17H13FN2O3/c1-10-15-13(21)6-3-7-14(15)23-16(10)17(22)20-19-9-11-4-2-5-12(18)8-11/h2-9,21H,1H3,(H,20,22)
InChIKeySGZHVTDXGJNNTP-UHFFFAOYSA-N
XLogP3.35
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
CID 175009758
4-hydroxy-3-methyl-N-[(2,3,4-trihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 175013264
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464574
N-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide
CID 841340
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
N-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5105214
N-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027506
3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4031826
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6019016
N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693745
N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464455
N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464323

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide (CID 175012801) is N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NN=Cc2cccc(F)c2)oc2cccc(O)c12.
What is the InChIKey of N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is SGZHVTDXGJNNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-10-15-13(21)6-3-7-14(15)23-16(10)17(22)20-19-9-11-4-2-5-12(18)8-11/h2-9,21H,1H3,(H,20,22).
What are the key properties of N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide?
N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 175012801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).