(2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide

C25H21FN2O2 — CID 8755424

IUPAC(2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H](N[C@H](c1ccccc1)c1ccco1)c1ccccc1
InChIInChI=1S/C25H21FN2O2/c26-20-13-15-21(16-14-20)27-25(29)24(19-10-5-2-6-11-19)28-23(22-12-7-17-30-22)18-8-3-1-4-9-18/h1-17,23-24,28H,(H,27,29)/t23-,24+/m1/s1
InChIKeyZDXREOLBNTVQSS-RPWUZVMVSA-N
MW400.45 g/mol
LogP5.48
Rot. Bonds7

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

(2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide (PubChem CID 8755424) has the molecular formula C25H21FN2O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
PubChem CID8755424
Molecular FormulaC25H21FN2O2
Molecular Weight400.45 g/mol
Exact Mass400.16
IUPAC Name(2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H](N[C@H](c1ccccc1)c1ccco1)c1ccccc1
InChIInChI=1S/C25H21FN2O2/c26-20-13-15-21(16-14-20)27-25(29)24(19-10-5-2-6-11-19)28-23(22-12-7-17-30-22)18-8-3-1-4-9-18/h1-17,23-24,28H,(H,27,29)/t23-,24+/m1/s1
InChIKeyZDXREOLBNTVQSS-RPWUZVMVSA-N
XLogP5.48
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.45
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide
CID 8755134
(2R)-N-(4-fluorophenyl)-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051153
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 8696252
(2R)-N-carbamoyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8755898
(2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8756132
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8755514
(2R)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755480
(2R)-N-(4-chlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755484
(2S)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755478
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755427
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide (CID 8755424) is (2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide is O=C(Nc1ccc(F)cc1)[C@@H](N[C@H](c1ccccc1)c1ccco1)c1ccccc1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide?
The InChIKey is ZDXREOLBNTVQSS-RPWUZVMVSA-N. The full InChI is InChI=1S/C25H21FN2O2/c26-20-13-15-21(16-14-20)27-25(29)24(19-10-5-2-6-11-19)28-23(22-12-7-17-30-22)18-8-3-1-4-9-18/h1-17,23-24,28H,(H,27,29)/t23-,24+/m1/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide?
(2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide has a molecular weight of 400.45 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 8755424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).