N-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide

C13H13FN2O2 — CID 62316950

IUPACN-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(F)c(CN)c1
InChIInChI=1S/C13H13FN2O2/c1-8-4-5-18-12(8)13(17)16-10-2-3-11(14)9(6-10)7-15/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyKDVRHSBHYJMNCK-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.44
Rot. Bonds3

About N-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide

N-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide (PubChem CID 62316950) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide
PubChem CID62316950
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC NameN-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(F)c(CN)c1
InChIInChI=1S/C13H13FN2O2/c1-8-4-5-18-12(8)13(17)16-10-2-3-11(14)9(6-10)7-15/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyKDVRHSBHYJMNCK-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide
CID 62315619
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-3-methylfuran-2-carboxamide
CID 45381482
N-[3-(aminomethyl)-4-fluorophenyl]acetamide
CID 62317128
N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide
CID 62317484
N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 16772874
3-methyl-N-(3-methylphenyl)furan-2-carboxamide
CID 38770464
3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea
CID 79154504
N-(4-ethylphenyl)-3-methylfuran-2-carboxamide
CID 18106134
N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide
CID 114302970
N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide
CID 62537171
1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea
CID 62316078
N-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide
CID 103581989

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide (CID 62316950) is N-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1ccc(F)c(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide?
The InChIKey is KDVRHSBHYJMNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8-4-5-18-12(8)13(17)16-10-2-3-11(14)9(6-10)7-15/h2-6H,7,15H2,1H3,(H,16,17).
What are the key properties of N-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide?
N-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 62316950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).