N-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide

C13H13FN2O2 — CID 28769132

IUPACN-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide
SMILESNCCN(C(=O)c1ccco1)c1cccc(F)c1
InChIInChI=1S/C13H13FN2O2/c14-10-3-1-4-11(9-10)16(7-6-15)13(17)12-5-2-8-18-12/h1-5,8-9H,6-7,15H2
InChIKeyOBVRFPZYBWPJHO-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.02
Rot. Bonds4

About N-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide

N-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide (PubChem CID 28769132) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide
PubChem CID28769132
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC NameN-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide
SMILESNCCN(C(=O)c1ccco1)c1cccc(F)c1
InChIInChI=1S/C13H13FN2O2/c14-10-3-1-4-11(9-10)16(7-6-15)13(17)12-5-2-8-18-12/h1-5,8-9H,6-7,15H2
InChIKeyOBVRFPZYBWPJHO-UHFFFAOYSA-N
XLogP2.02
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-N-(4-ethylphenyl)furan-2-carboxamide
CID 28770064
N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide
CID 28768548
N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 79095264
N-(2-aminoethyl)-3-fluoro-N-(4-fluorophenyl)benzamide
CID 28769279
3-[N-(furan-2-carbonyl)anilino]propanoic acid
CID 28764053
N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylfuran-2-carboxamide
CID 35578218
N-(3-fluorophenyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113132400
N-(2-aminoethyl)-N-ethylfuran-2-carboxamide
CID 28707635
N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-2-carboxamide
CID 107493246
2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid
CID 42859169
N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 62920963
N-[2-(3-fluorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 61063132

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide (CID 28769132) is N-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide is NCCN(C(=O)c1ccco1)c1cccc(F)c1.
What is the InChIKey of N-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide?
The InChIKey is OBVRFPZYBWPJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-10-3-1-4-11(9-10)16(7-6-15)13(17)12-5-2-8-18-12/h1-5,8-9H,6-7,15H2.
What are the key properties of N-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide?
N-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 28769132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).