(2R,3S)-N-benzyl-2-(3-fluorophenyl)-3-phenylmethoxypent-4-enamide

C25H24FNO2 — CID 164579285

IUPAC(2R,3S)-N-benzyl-2-(3-fluorophenyl)-3-phenylmethoxypent-4-enamide
SMILESC=C[C@H](OCc1ccccc1)[C@H](C(=O)NCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C25H24FNO2/c1-2-23(29-18-20-12-7-4-8-13-20)24(21-14-9-15-22(26)16-21)25(28)27-17-19-10-5-3-6-11-19/h2-16,23-24H,1,17-18H2,(H,27,28)/t23-,24+/m0/s1
InChIKeyGATXQJPHYFPZAD-BJKOFHAPSA-N
MW389.47 g/mol
LogP5.00
Rot. Bonds9

About (2R,3S)-N-benzyl-2-(3-fluorophenyl)-3-phenylmethoxypent-4-enamide

(2R,3S)-N-benzyl-2-(3-fluorophenyl)-3-phenylmethoxypent-4-enamide (PubChem CID 164579285) has the molecular formula C25H24FNO2 and a molecular weight of 389.47 g/mol. Its IUPAC name is (2R,3S)-N-benzyl-2-(3-fluorophenyl)-3-phenylmethoxypent-4-enamide.

Molecular Properties

Compound Name(2R,3S)-N-benzyl-2-(3-fluorophenyl)-3-phenylmethoxypent-4-enamide
PubChem CID164579285
Molecular FormulaC25H24FNO2
Molecular Weight389.47 g/mol
Exact Mass389.18
IUPAC Name(2R,3S)-N-benzyl-2-(3-fluorophenyl)-3-phenylmethoxypent-4-enamide
SMILESC=C[C@H](OCc1ccccc1)[C@H](C(=O)NCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C25H24FNO2/c1-2-23(29-18-20-12-7-4-8-13-20)24(21-14-9-15-22(26)16-21)25(28)27-17-19-10-5-3-6-11-19/h2-16,23-24H,1,17-18H2,(H,27,28)/t23-,24+/m0/s1
InChIKeyGATXQJPHYFPZAD-BJKOFHAPSA-N
XLogP5.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2s)-6-[(4-Fluorobenzyl)amino]-2-[(2r)-2-(4-Fluorophenyl)-2-Methoxyethyl]-N-Hydroxyhexanamide
CID 54582019
N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
[(5S,7R)-7-(4-fluorophenyl)-5-(hydroxycarbamoyl)-7-methoxyheptyl]-[(4-fluorophenyl)methyl]azanium
CID 72200759
N-[2-(benzyloxy)ethyl]-3,3-diphenylpropanamide
CID 6456612
Benzyl 2-[(2,2-diphenylacetyl)amino]acetate
CID 1100660
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-(4-fluoro-phenyl)-acetamide
CID 9980795
N-(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-propyl)-2-phenyl-acetamide
CID 10575012
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-phenyl-acetamide
CID 10788455
Benzhydryl 2-[(2-phenylacetyl)amino]acetate
CID 1310474
N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-3-phenylpropanamide
CID 10765459
N-benzyl-2-[(2R,6R,8Z,11R)-11-[(4-fluorophenyl)methyl]-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide
CID 44201587
2-[(2S,6S,8E,12S)-12-[(4-fluorophenyl)methyl]-5,13-bis(oxidanylidene)-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)-N-(phenylmethyl)ethanamide
CID 44201662

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-benzyl-2-(3-fluorophenyl)-3-phenylmethoxypent-4-enamide?
The IUPAC name of (2R,3S)-N-benzyl-2-(3-fluorophenyl)-3-phenylmethoxypent-4-enamide (CID 164579285) is (2R,3S)-N-benzyl-2-(3-fluorophenyl)-3-phenylmethoxypent-4-enamide.
What is the SMILES notation for (2R,3S)-N-benzyl-2-(3-fluorophenyl)-3-phenylmethoxypent-4-enamide?
The canonical SMILES for (2R,3S)-N-benzyl-2-(3-fluorophenyl)-3-phenylmethoxypent-4-enamide is C=C[C@H](OCc1ccccc1)[C@H](C(=O)NCc1ccccc1)c1cccc(F)c1.
What is the InChIKey of (2R,3S)-N-benzyl-2-(3-fluorophenyl)-3-phenylmethoxypent-4-enamide?
The InChIKey is GATXQJPHYFPZAD-BJKOFHAPSA-N. The full InChI is InChI=1S/C25H24FNO2/c1-2-23(29-18-20-12-7-4-8-13-20)24(21-14-9-15-22(26)16-21)25(28)27-17-19-10-5-3-6-11-19/h2-16,23-24H,1,17-18H2,(H,27,28)/t23-,24+/m0/s1.
What are the key properties of (2R,3S)-N-benzyl-2-(3-fluorophenyl)-3-phenylmethoxypent-4-enamide?
(2R,3S)-N-benzyl-2-(3-fluorophenyl)-3-phenylmethoxypent-4-enamide has a molecular weight of 389.47 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-benzyl-2-(3-fluorophenyl)-3-phenylmethoxypent-4-enamide is sourced from PubChem (CID 164579285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).