methyl 3-(3-fluorophenyl)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoate

C19H18FNO4 — CID 102132663

IUPACmethyl 3-(3-fluorophenyl)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoate
SMILESCOC(=O)C(Cc1cccc(F)c1)NC(=O)/C=C/c1ccccc1O
InChIInChI=1S/C19H18FNO4/c1-25-19(24)16(12-13-5-4-7-15(20)11-13)21-18(23)10-9-14-6-2-3-8-17(14)22/h2-11,16,22H,12H2,1H3,(H,21,23)/b10-9+
InChIKeyCTQLGJPXGPBYQJ-MDZDMXLPSA-N
MW343.35 g/mol
LogP2.44
Rot. Bonds6

About methyl 3-(3-fluorophenyl)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoate

methyl 3-(3-fluorophenyl)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoate (PubChem CID 102132663) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is methyl 3-(3-fluorophenyl)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(3-fluorophenyl)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoate
PubChem CID102132663
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Namemethyl 3-(3-fluorophenyl)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoate
SMILESCOC(=O)C(Cc1cccc(F)c1)NC(=O)/C=C/c1ccccc1O
InChIInChI=1S/C19H18FNO4/c1-25-19(24)16(12-13-5-4-7-15(20)11-13)21-18(23)10-9-14-6-2-3-8-17(14)22/h2-11,16,22H,12H2,1H3,(H,21,23)/b10-9+
InChIKeyCTQLGJPXGPBYQJ-MDZDMXLPSA-N
XLogP2.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11437949
methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470
methyl 2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 43407052
methyl (2R)-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9277808
methyl 2-[[2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]oxyacetyl]amino]-3-phenylpropanoate
CID 46607823
3-(4-hydroxyphenyl)-2-[3-(2-hydroxyphenyl)prop-2-enoylamino]propanoic acid
CID 174832653
ethyl 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoate
CID 43877540
methyl (2S)-3-(3-fluorophenyl)-2-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]propanoate
CID 134297740
methyl (2R)-3-phenyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoate
CID 2369783
methyl (2S)-2-[2-(3-fluorophenyl)propanoylamino]-3-phenylpropanoate
CID 91643376
[(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium
CID 7020806
methyl (2R)-2-[[2-(benzylamino)acetyl]amino]-3-(4-fluorophenyl)propanoate
CID 69416606

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-fluorophenyl)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoate?
The IUPAC name of methyl 3-(3-fluorophenyl)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoate (CID 102132663) is methyl 3-(3-fluorophenyl)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoate.
What is the SMILES notation for methyl 3-(3-fluorophenyl)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoate?
The canonical SMILES for methyl 3-(3-fluorophenyl)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoate is COC(=O)C(Cc1cccc(F)c1)NC(=O)/C=C/c1ccccc1O.
What is the InChIKey of methyl 3-(3-fluorophenyl)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoate?
The InChIKey is CTQLGJPXGPBYQJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-25-19(24)16(12-13-5-4-7-15(20)11-13)21-18(23)10-9-14-6-2-3-8-17(14)22/h2-11,16,22H,12H2,1H3,(H,21,23)/b10-9+.
What are the key properties of methyl 3-(3-fluorophenyl)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoate?
methyl 3-(3-fluorophenyl)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoate has a molecular weight of 343.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-fluorophenyl)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoate is sourced from PubChem (CID 102132663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).