(2S)-2-[furan-2-ylmethyl(methyl)amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide

C17H18F3N3O3 — CID 26518608

IUPAC(2S)-2-[furan-2-ylmethyl(methyl)amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
SMILESC[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1ccco1
InChIInChI=1S/C17H18F3N3O3/c1-10(23(2)9-11-4-3-7-26-11)17(25)21-8-14(24)22-13-6-5-12(18)15(19)16(13)20/h3-7,10H,8-9H2,1-2H3,(H,21,25)(H,22,24)/t10-/m0/s1
InChIKeyJITNPYFWNNRYBK-JTQLQIEISA-N
MW369.34 g/mol
LogP2.27
Rot. Bonds7

About (2S)-2-[furan-2-ylmethyl(methyl)amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide

(2S)-2-[furan-2-ylmethyl(methyl)amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide (PubChem CID 26518608) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is (2S)-2-[furan-2-ylmethyl(methyl)amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[furan-2-ylmethyl(methyl)amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
PubChem CID26518608
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name(2S)-2-[furan-2-ylmethyl(methyl)amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
SMILESC[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1ccco1
InChIInChI=1S/C17H18F3N3O3/c1-10(23(2)9-11-4-3-7-26-11)17(25)21-8-14(24)22-13-6-5-12(18)15(19)16(13)20/h3-7,10H,8-9H2,1-2H3,(H,21,25)(H,22,24)/t10-/m0/s1
InChIKeyJITNPYFWNNRYBK-JTQLQIEISA-N
XLogP2.27
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 112781027
(2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 9102269
(2R)-2-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 95785613
N-(2-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526612
(2R)-N-(2,4-dichlorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 9334007
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8918343
2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride
CID 119268558
[1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 42979813
N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526601
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9034646
(2R)-2-[(3-chlorophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 9251072
2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 41468828

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[furan-2-ylmethyl(methyl)amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
The IUPAC name of (2S)-2-[furan-2-ylmethyl(methyl)amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide (CID 26518608) is (2S)-2-[furan-2-ylmethyl(methyl)amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide.
What is the SMILES notation for (2S)-2-[furan-2-ylmethyl(methyl)amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
The canonical SMILES for (2S)-2-[furan-2-ylmethyl(methyl)amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide is C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1ccco1.
What is the InChIKey of (2S)-2-[furan-2-ylmethyl(methyl)amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
The InChIKey is JITNPYFWNNRYBK-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-10(23(2)9-11-4-3-7-26-11)17(25)21-8-14(24)22-13-6-5-12(18)15(19)16(13)20/h3-7,10H,8-9H2,1-2H3,(H,21,25)(H,22,24)/t10-/m0/s1.
What are the key properties of (2S)-2-[furan-2-ylmethyl(methyl)amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
(2S)-2-[furan-2-ylmethyl(methyl)amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide has a molecular weight of 369.34 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[furan-2-ylmethyl(methyl)amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide is sourced from PubChem (CID 26518608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).