N-(3-amino-5-fluorophenyl)furan-2-carboxamide

C11H9FN2O2 — CID 107333848

IUPACN-(3-amino-5-fluorophenyl)furan-2-carboxamide
SMILESNc1cc(F)cc(NC(=O)c2ccco2)c1
InChIInChI=1S/C11H9FN2O2/c12-7-4-8(13)6-9(5-7)14-11(15)10-2-1-3-16-10/h1-6H,13H2,(H,14,15)
InChIKeyWNXMPKBAPZEWNM-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.25
Rot. Bonds2

About N-(3-amino-5-fluorophenyl)furan-2-carboxamide

N-(3-amino-5-fluorophenyl)furan-2-carboxamide (PubChem CID 107333848) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is N-(3-amino-5-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-5-fluorophenyl)furan-2-carboxamide
PubChem CID107333848
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC NameN-(3-amino-5-fluorophenyl)furan-2-carboxamide
SMILESNc1cc(F)cc(NC(=O)c2ccco2)c1
InChIInChI=1S/C11H9FN2O2/c12-7-4-8(13)6-9(5-7)14-11(15)10-2-1-3-16-10/h1-6H,13H2,(H,14,15)
InChIKeyWNXMPKBAPZEWNM-UHFFFAOYSA-N
XLogP2.25
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3,5-difluorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 53488888
N-(3-fluoro-5-nitrophenyl)furan-2-carboxamide
CID 107335365
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-(3-amino-5-phenoxyphenyl)furan-2-carboxamide
CID 3862534
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-(3-amino-5-fluorophenyl)benzamide
CID 107334043
N-(2,5-difluorophenyl)furan-2-carboxamide
CID 2711385
N-(3-amino-5-fluorophenyl)-3-methylbenzamide
CID 107334074
N-(2-bromo-4,6-difluorophenyl)furan-2-carboxamide
CID 1244098
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N'-(3,5-difluorobenzoyl)furan-2-carbohydrazide
CID 6711004

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-(3-amino-5-fluorophenyl)furan-2-carboxamide (CID 107333848) is N-(3-amino-5-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-amino-5-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-amino-5-fluorophenyl)furan-2-carboxamide is Nc1cc(F)cc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-(3-amino-5-fluorophenyl)furan-2-carboxamide?
The InChIKey is WNXMPKBAPZEWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-7-4-8(13)6-9(5-7)14-11(15)10-2-1-3-16-10/h1-6H,13H2,(H,14,15).
What are the key properties of N-(3-amino-5-fluorophenyl)furan-2-carboxamide?
N-(3-amino-5-fluorophenyl)furan-2-carboxamide has a molecular weight of 220.20 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 107333848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).