(2S)-N-(3-fluoro-2-oxopropyl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide

C21H23FN2O3 — CID 155550028

IUPAC(2S)-N-(3-fluoro-2-oxopropyl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide
SMILESO=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1
InChIInChI=1S/C21H23FN2O3/c22-14-18(25)15-23-21(27)19(13-17-9-5-2-6-10-17)24-20(26)12-11-16-7-3-1-4-8-16/h1-10,19H,11-15H2,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeyWTSHMANJKBYANF-IBGZPJMESA-N
MW370.42 g/mol
LogP2.00
Rot. Bonds10

About (2S)-N-(3-fluoro-2-oxopropyl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide

(2S)-N-(3-fluoro-2-oxopropyl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide (PubChem CID 155550028) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is (2S)-N-(3-fluoro-2-oxopropyl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-fluoro-2-oxopropyl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide
PubChem CID155550028
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name(2S)-N-(3-fluoro-2-oxopropyl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide
SMILESO=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1
InChIInChI=1S/C21H23FN2O3/c22-14-18(25)15-23-21(27)19(13-17-9-5-2-6-10-17)24-20(26)12-11-16-7-3-1-4-8-16/h1-10,19H,11-15H2,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeyWTSHMANJKBYANF-IBGZPJMESA-N
XLogP2.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methyl-2-[[2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]acetyl]amino]pentanamide
CID 45277465
tert-butyl N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 155559004
(2S)-N-[(2R)-4-fluoro-3-oxo-1-phenylbutan-2-yl]-4-methyl-2-(3-phenylpropanoylamino)pentanamide
CID 102330813
2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]acetic acid
CID 11265903
benzyl N-[(2S)-3-(3-chlorophenyl)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxopropan-2-yl]carbamate
CID 155550140
2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 6992441
N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide
CID 42701600
N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]quinoline-8-carboxamide
CID 155519459
2-[3-(4-methylphenyl)propanoylamino]-3-phenylpropanoic acid
CID 119165684
(2R)-2-[3-(4-methylphenyl)propanoylamino]-3-phenylpropanoic acid
CID 119367532
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide
CID 110347374
[3-methyl-1-[[3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]butyl]boronic acid
CID 3850789

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-fluoro-2-oxopropyl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide?
The IUPAC name of (2S)-N-(3-fluoro-2-oxopropyl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide (CID 155550028) is (2S)-N-(3-fluoro-2-oxopropyl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide.
What is the SMILES notation for (2S)-N-(3-fluoro-2-oxopropyl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide?
The canonical SMILES for (2S)-N-(3-fluoro-2-oxopropyl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide is O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1.
What is the InChIKey of (2S)-N-(3-fluoro-2-oxopropyl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide?
The InChIKey is WTSHMANJKBYANF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23FN2O3/c22-14-18(25)15-23-21(27)19(13-17-9-5-2-6-10-17)24-20(26)12-11-16-7-3-1-4-8-16/h1-10,19H,11-15H2,(H,23,27)(H,24,26)/t19-/m0/s1.
What are the key properties of (2S)-N-(3-fluoro-2-oxopropyl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide?
(2S)-N-(3-fluoro-2-oxopropyl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide has a molecular weight of 370.42 g/mol, XLogP of 2.00, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-fluoro-2-oxopropyl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide is sourced from PubChem (CID 155550028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).