N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide

C16H15F3N2O3 — CID 94031986

IUPACN-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O3/c1-10(21-15(23)12-5-6-24-9-12)14(22)20-8-11-3-2-4-13(7-11)16(17,18)19/h2-7,9-10H,8H2,1H3,(H,20,22)(H,21,23)/t10-/m0/s1
InChIKeyVYSSRFMYGVLNTQ-JTQLQIEISA-N
MW340.30 g/mol
LogP2.73
Rot. Bonds5

About N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide

N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide (PubChem CID 94031986) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
PubChem CID94031986
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC NameN-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O3/c1-10(21-15(23)12-5-6-24-9-12)14(22)20-8-11-3-2-4-13(7-11)16(17,18)19/h2-7,9-10H,8H2,1H3,(H,20,22)(H,21,23)/t10-/m0/s1
InChIKeyVYSSRFMYGVLNTQ-JTQLQIEISA-N
XLogP2.73
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 42908391
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
N-[1-[[3-(ethoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51089781
N-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
CID 47056942
2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 166191071
N-[(2S)-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide
CID 99782321
N-[1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide
CID 102561220
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide
CID 8750240
N-[1-oxo-1-[(2-phenoxy-4-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide
CID 47057211
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide (CID 94031986) is N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide is C[C@H](NC(=O)c1ccoc1)C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide?
The InChIKey is VYSSRFMYGVLNTQ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-10(21-15(23)12-5-6-24-9-12)14(22)20-8-11-3-2-4-13(7-11)16(17,18)19/h2-7,9-10H,8H2,1H3,(H,20,22)(H,21,23)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide?
N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 94031986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).