N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide

C16H19FN2O2 — CID 79095264

IUPACN-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
SMILESCCc1ccc(C(=O)N(CCCN)c2cccc(F)c2)o1
InChIInChI=1S/C16H19FN2O2/c1-2-14-7-8-15(21-14)16(20)19(10-4-9-18)13-6-3-5-12(17)11-13/h3,5-8,11H,2,4,9-10,18H2,1H3
InChIKeyHQKAWYDANFZOQM-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.98
Rot. Bonds6

About N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide

N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide (PubChem CID 79095264) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
PubChem CID79095264
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
SMILESCCc1ccc(C(=O)N(CCCN)c2cccc(F)c2)o1
InChIInChI=1S/C16H19FN2O2/c1-2-14-7-8-15(21-14)16(20)19(10-4-9-18)13-6-3-5-12(17)11-13/h3,5-8,11H,2,4,9-10,18H2,1H3
InChIKeyHQKAWYDANFZOQM-UHFFFAOYSA-N
XLogP2.98
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide
CID 79095437
1-(3-aminopropyl)-3-ethyl-1-(3-fluorophenyl)urea
CID 43164864
N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide
CID 28766949
N-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide
CID 79095271
N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 28767293
N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 62920963
N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide
CID 62677429
N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 43136163
N-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide
CID 28769132
N-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide
CID 102873797
5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide
CID 63584129
N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide
CID 43135941

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide (CID 79095264) is N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide is CCc1ccc(C(=O)N(CCCN)c2cccc(F)c2)o1.
What is the InChIKey of N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide?
The InChIKey is HQKAWYDANFZOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-2-14-7-8-15(21-14)16(20)19(10-4-9-18)13-6-3-5-12(17)11-13/h3,5-8,11H,2,4,9-10,18H2,1H3.
What are the key properties of N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide?
N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 79095264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).