N-(2-amino-4-fluorophenyl)-2-ethylfuran-3-carboxamide

C13H13FN2O2 — CID 114102845

IUPACN-(2-amino-4-fluorophenyl)-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C13H13FN2O2/c1-2-12-9(5-6-18-12)13(17)16-11-4-3-8(14)7-10(11)15/h3-7H,2,15H2,1H3,(H,16,17)
InChIKeyIKAJFTSAALAOLK-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.82
Rot. Bonds3

About N-(2-amino-4-fluorophenyl)-2-ethylfuran-3-carboxamide

N-(2-amino-4-fluorophenyl)-2-ethylfuran-3-carboxamide (PubChem CID 114102845) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-ethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-ethylfuran-3-carboxamide
PubChem CID114102845
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC NameN-(2-amino-4-fluorophenyl)-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C13H13FN2O2/c1-2-12-9(5-6-18-12)13(17)16-11-4-3-8(14)7-10(11)15/h3-7H,2,15H2,1H3,(H,16,17)
InChIKeyIKAJFTSAALAOLK-UHFFFAOYSA-N
XLogP2.82
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.82
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-(2-amino-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298308
2-ethyl-N-(5-iodo-2-methylphenyl)furan-3-carboxamide
CID 114150518
(2-amino-4-fluorophenyl)carbamic acid
CID 22318019
N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 16773048
N-(2-amino-5-fluorophenyl)-2-chlorofuran-3-carboxamide
CID 106683261
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
2-chloro-N-(2,4-difluorophenyl)furan-3-carboxamide
CID 106685284
N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830762
3-(2-amino-4-fluorophenyl)-1,1-diethylurea
CID 79154224
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide
CID 107999853

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-ethylfuran-3-carboxamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-ethylfuran-3-carboxamide (CID 114102845) is N-(2-amino-4-fluorophenyl)-2-ethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-ethylfuran-3-carboxamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-ethylfuran-3-carboxamide is CCc1occc1C(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-ethylfuran-3-carboxamide?
The InChIKey is IKAJFTSAALAOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-2-12-9(5-6-18-12)13(17)16-11-4-3-8(14)7-10(11)15/h3-7H,2,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-ethylfuran-3-carboxamide?
N-(2-amino-4-fluorophenyl)-2-ethylfuran-3-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-ethylfuran-3-carboxamide is sourced from PubChem (CID 114102845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).