(2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide

C20H23FN2O2 — CID 95583434

IUPAC(2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide
SMILESCC[C@H](C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O)c1ccccc1
InChIInChI=1S/C20H23FN2O2/c1-2-18(15-6-4-3-5-7-15)20(25)23-13-16(19(22)24)12-14-8-10-17(21)11-9-14/h3-11,16,18H,2,12-13H2,1H3,(H2,22,24)(H,23,25)/t16-,18-/m0/s1
InChIKeyOOBZKLNMSOUFJT-WMZOPIPTSA-N
MW342.41 g/mol
LogP2.78
Rot. Bonds8

About (2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide

(2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide (PubChem CID 95583434) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide
PubChem CID95583434
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name(2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide
SMILESCC[C@H](C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O)c1ccccc1
InChIInChI=1S/C20H23FN2O2/c1-2-18(15-6-4-3-5-7-15)20(25)23-13-16(19(22)24)12-14-8-10-17(21)11-9-14/h3-11,16,18H,2,12-13H2,1H3,(H2,22,24)(H,23,25)/t16-,18-/m0/s1
InChIKeyOOBZKLNMSOUFJT-WMZOPIPTSA-N
XLogP2.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-fluorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 120528828
2-[[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]methyl]-3-(4-fluorophenyl)propanamide
CID 111343473
2-[[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]methyl]-3-(4-fluorophenyl)propanamide;hydroiodide
CID 111343472
2-[[[N-ethyl-N'-[(2-ethylphenyl)methyl]carbamimidoyl]amino]methyl]-3-(4-fluorophenyl)propanamide;hydroiodide
CID 111636227
3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide
CID 56819888
2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide
CID 110353349
2-[(4-fluorophenyl)methyl]-3-[[N'-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111326531
N-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide
CID 90548192
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide
CID 95583298
trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide
CID 124735793
2-[[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]methyl]-3-(4-fluorophenyl)propanamide;hydroiodide
CID 110950611
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide
CID 56819872

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide?
The IUPAC name of (2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide (CID 95583434) is (2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide.
What is the SMILES notation for (2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide?
The canonical SMILES for (2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide is CC[C@H](C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O)c1ccccc1.
What is the InChIKey of (2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide?
The InChIKey is OOBZKLNMSOUFJT-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-2-18(15-6-4-3-5-7-15)20(25)23-13-16(19(22)24)12-14-8-10-17(21)11-9-14/h3-11,16,18H,2,12-13H2,1H3,(H2,22,24)(H,23,25)/t16-,18-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide?
(2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide has a molecular weight of 342.41 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide is sourced from PubChem (CID 95583434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).