N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide

C15H15F3N2O2 — CID 119129013

IUPACN-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
SMILESCC(NCc1cc(F)c(F)c(F)c1)C(=O)NCc1ccco1
InChIInChI=1S/C15H15F3N2O2/c1-9(15(21)20-8-11-3-2-4-22-11)19-7-10-5-12(16)14(18)13(17)6-10/h2-6,9,19H,7-8H2,1H3,(H,20,21)
InChIKeyGCUGETKRKDUAPF-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.49
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide

N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide (PubChem CID 119129013) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
PubChem CID119129013
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC NameN-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
SMILESCC(NCc1cc(F)c(F)c(F)c1)C(=O)NCc1ccco1
InChIInChI=1S/C15H15F3N2O2/c1-9(15(21)20-8-11-3-2-4-22-11)19-7-10-5-12(16)14(18)13(17)6-10/h2-6,9,19H,7-8H2,1H3,(H,20,21)
InChIKeyGCUGETKRKDUAPF-UHFFFAOYSA-N
XLogP2.49
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593
2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 61401140
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 119128983
N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63050518
2-[2-(3-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)propanamide
CID 43401439
2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 60918229
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
2-(2-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088644
2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 107573921
2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088700
2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088873

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide (CID 119129013) is N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide is CC(NCc1cc(F)c(F)c(F)c1)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide?
The InChIKey is GCUGETKRKDUAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-9(15(21)20-8-11-3-2-4-22-11)19-7-10-5-12(16)14(18)13(17)6-10/h2-6,9,19H,7-8H2,1H3,(H,20,21).
What are the key properties of N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide?
N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide has a molecular weight of 312.29 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide is sourced from PubChem (CID 119129013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).