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

C12H11FN2O2 — CID 114818556

IUPACN-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(N)ccc2F)co1
InChIInChI=1S/C12H11FN2O2/c1-7-4-8(6-17-7)12(16)15-11-5-9(14)2-3-10(11)13/h2-6H,14H2,1H3,(H,15,16)
InChIKeyHSDALUIFGKYDMA-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.56
Rot. Bonds2

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

N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide (PubChem CID 114818556) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide
PubChem CID114818556
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC NameN-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(N)ccc2F)co1
InChIInChI=1S/C12H11FN2O2/c1-7-4-8(6-17-7)12(16)15-11-5-9(14)2-3-10(11)13/h2-6H,14H2,1H3,(H,15,16)
InChIKeyHSDALUIFGKYDMA-UHFFFAOYSA-N
XLogP2.56
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.56
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-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
CID 16771732
N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide
CID 114818567
N-(4-amino-2-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818644
N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide
CID 114818637
N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide
CID 18072371
N-[4-(aminomethyl)-2-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114818528
N-(5-amino-2-fluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103793620
N-(2-bromo-4-fluorophenyl)-5-methylfuran-3-carboxamide
CID 114820853
N-(5-amino-2-fluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 16771364
N-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335719
N-(5-amino-2-fluorophenyl)-3-methyl-4-nitrobenzamide
CID 43600154
N-(5-amino-2-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107670559

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide (CID 114818556) is N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)Nc2cc(N)ccc2F)co1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide?
The InChIKey is HSDALUIFGKYDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-7-4-8(6-17-7)12(16)15-11-5-9(14)2-3-10(11)13/h2-6H,14H2,1H3,(H,15,16).
What are the key properties of N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide?
N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114818556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).