(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide

C21H19F3N2O3 — CID 8755382

IUPAC(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESC[C@H](N[C@H](c1ccccc1)c1ccco1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H19F3N2O3/c1-14(20(27)26-16-9-11-17(12-10-16)29-21(22,23)24)25-19(18-8-5-13-28-18)15-6-3-2-4-7-15/h2-14,19,25H,1H3,(H,26,27)/t14-,19+/m0/s1
InChIKeyHVJJRSVFOHSKGK-IFXJQAMLSA-N
MW404.39 g/mol
LogP4.88
Rot. Bonds7

About (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide

(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 8755382) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID8755382
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC Name(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESC[C@H](N[C@H](c1ccccc1)c1ccco1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H19F3N2O3/c1-14(20(27)26-16-9-11-17(12-10-16)29-21(22,23)24)25-19(18-8-5-13-28-18)15-6-3-2-4-7-15/h2-14,19,25H,1H3,(H,26,27)/t14-,19+/m0/s1
InChIKeyHVJJRSVFOHSKGK-IFXJQAMLSA-N
XLogP4.88
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-chlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755484
(2R)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755480
(2S)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755478
(2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755490
(2R)-N-(1,3-benzodioxol-5-yl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755316
(2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755318
(2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide
CID 8755326
(2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8755424
(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide
CID 8755134
(2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 7957205
(2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755176
(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8755264

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 8755382) is (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide is C[C@H](N[C@H](c1ccccc1)c1ccco1)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is HVJJRSVFOHSKGK-IFXJQAMLSA-N. The full InChI is InChI=1S/C21H19F3N2O3/c1-14(20(27)26-16-9-11-17(12-10-16)29-21(22,23)24)25-19(18-8-5-13-28-18)15-6-3-2-4-7-15/h2-14,19,25H,1H3,(H,26,27)/t14-,19+/m0/s1.
What are the key properties of (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide?
(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 404.39 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 8755382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).