methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate

C17H16FNO3 — CID 531401

IUPACmethyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FNO3/c1-22-17(21)15(11-12-5-3-2-4-6-12)19-16(20)13-7-9-14(18)10-8-13/h2-10,15H,11H2,1H3,(H,19,20)
InChIKeyNUEPYHOVUXEGDD-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.34
Rot. Bonds5

About methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate

methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate (PubChem CID 531401) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
PubChem CID531401
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Namemethyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FNO3/c1-22-17(21)15(11-12-5-3-2-4-6-12)19-16(20)13-7-9-14(18)10-8-13/h2-10,15H,11H2,1H3,(H,19,20)
InChIKeyNUEPYHOVUXEGDD-UHFFFAOYSA-N
XLogP2.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470
methyl (2S)-2-[(3,4-difluorobenzoyl)amino]-3-phenylpropanoate
CID 38031742
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-fluorobenzamide
CID 150964230
methyl (2S)-2-[[4-(dimethylamino)benzoyl]amino]-3-phenylpropanoate
CID 27228197
methyl (2R)-2-[[4-(difluoromethylsulfonyl)benzoyl]amino]-3-phenylpropanoate
CID 9404525
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 10360063
methyl (2R)-2-[[2-(benzylamino)acetyl]amino]-3-(4-fluorophenyl)propanoate
CID 69416606
methyl (2S)-2-[[2-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 46879179
methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate
CID 20624106
methyl (2S)-2-[[5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]thiophene-2-carbonyl]amino]-3-phenylpropanoate
CID 139079472
methyl 2-[(4-fluorobenzoyl)amino]-4-methylpentanoate
CID 2915918

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate (CID 531401) is methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)c1ccc(F)cc1.
What is the InChIKey of methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate?
The InChIKey is NUEPYHOVUXEGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-22-17(21)15(11-12-5-3-2-4-6-12)19-16(20)13-7-9-14(18)10-8-13/h2-10,15H,11H2,1H3,(H,19,20).
What are the key properties of methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate?
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate has a molecular weight of 301.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 531401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).