N-(4-fluorophenyl)-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]acetamide

C20H23FN2O3 — CID 41168003

IUPACN-(4-fluorophenyl)-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]acetamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)COCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O3/c1-15(7-8-16-5-3-2-4-6-16)22-19(24)13-26-14-20(25)23-18-11-9-17(21)10-12-18/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,22,24)(H,23,25)/t15-/m0/s1
InChIKeyYGCAGYZVZREJTM-HNNXBMFYSA-N
MW358.41 g/mol
LogP2.92
Rot. Bonds9

About N-(4-fluorophenyl)-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]acetamide

N-(4-fluorophenyl)-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]acetamide (PubChem CID 41168003) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]acetamide
PubChem CID41168003
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-(4-fluorophenyl)-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]acetamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)COCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O3/c1-15(7-8-16-5-3-2-4-6-16)22-19(24)13-26-14-20(25)23-18-11-9-17(21)10-12-18/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,22,24)(H,23,25)/t15-/m0/s1
InChIKeyYGCAGYZVZREJTM-HNNXBMFYSA-N
XLogP2.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 4079657
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 51157929
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-acetamidobenzoate
CID 7654302
N-(4-chlorophenyl)-N'-[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7316761
N-(4-chlorophenyl)-N'-[(2R)-4-phenylbutan-2-yl]butanediamide
CID 7316762
N'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide
CID 3886126
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-(4-fluorophenyl)-5-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 46354630
(3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7324001
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 42967832

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]acetamide (CID 41168003) is N-(4-fluorophenyl)-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]acetamide is C[C@@H](CCc1ccccc1)NC(=O)COCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]acetamide?
The InChIKey is YGCAGYZVZREJTM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-15(7-8-16-5-3-2-4-6-16)22-19(24)13-26-14-20(25)23-18-11-9-17(21)10-12-18/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,22,24)(H,23,25)/t15-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]acetamide?
N-(4-fluorophenyl)-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]acetamide has a molecular weight of 358.41 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]acetamide is sourced from PubChem (CID 41168003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).