methyl 3-(2-chlorophenyl)-3-[3-(4-fluorophenyl)butanoylamino]propanoate

C20H21ClFNO3 — CID 55925524

IUPACmethyl 3-(2-chlorophenyl)-3-[3-(4-fluorophenyl)butanoylamino]propanoate
SMILESCOC(=O)CC(NC(=O)CC(C)c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C20H21ClFNO3/c1-13(14-7-9-15(22)10-8-14)11-19(24)23-18(12-20(25)26-2)16-5-3-4-6-17(16)21/h3-10,13,18H,11-12H2,1-2H3,(H,23,24)
InChIKeyJLSFOXBVGNQNLV-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.39
Rot. Bonds7

About methyl 3-(2-chlorophenyl)-3-[3-(4-fluorophenyl)butanoylamino]propanoate

methyl 3-(2-chlorophenyl)-3-[3-(4-fluorophenyl)butanoylamino]propanoate (PubChem CID 55925524) has the molecular formula C20H21ClFNO3 and a molecular weight of 377.84 g/mol. Its IUPAC name is methyl 3-(2-chlorophenyl)-3-[3-(4-fluorophenyl)butanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-(2-chlorophenyl)-3-[3-(4-fluorophenyl)butanoylamino]propanoate
PubChem CID55925524
Molecular FormulaC20H21ClFNO3
Molecular Weight377.84 g/mol
Exact Mass377.12
IUPAC Namemethyl 3-(2-chlorophenyl)-3-[3-(4-fluorophenyl)butanoylamino]propanoate
SMILESCOC(=O)CC(NC(=O)CC(C)c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C20H21ClFNO3/c1-13(14-7-9-15(22)10-8-14)11-19(24)23-18(12-20(25)26-2)16-5-3-4-6-17(16)21/h3-10,13,18H,11-12H2,1-2H3,(H,23,24)
InChIKeyJLSFOXBVGNQNLV-UHFFFAOYSA-N
XLogP4.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 51256785
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CID 55440619
propan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate
CID 51926264
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CID 86871718
ethyl (3R)-3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate
CID 7045197
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CID 91018494
methyl 3-(2-chlorophenyl)-3-[2-(2-methylpropoxy)propanoylamino]propanoate
CID 51114947
methyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate
CID 51256852
methyl (3S)-3-(2-chlorophenyl)-3-[(2-pyrazol-1-ylacetyl)amino]propanoate
CID 94017890
methyl 3-(2-chlorophenyl)-3-[1-(3,4,5-trimethoxyphenyl)ethylcarbamoylamino]propanoate
CID 55743646
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CID 24516279

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chlorophenyl)-3-[3-(4-fluorophenyl)butanoylamino]propanoate?
The IUPAC name of methyl 3-(2-chlorophenyl)-3-[3-(4-fluorophenyl)butanoylamino]propanoate (CID 55925524) is methyl 3-(2-chlorophenyl)-3-[3-(4-fluorophenyl)butanoylamino]propanoate.
What is the SMILES notation for methyl 3-(2-chlorophenyl)-3-[3-(4-fluorophenyl)butanoylamino]propanoate?
The canonical SMILES for methyl 3-(2-chlorophenyl)-3-[3-(4-fluorophenyl)butanoylamino]propanoate is COC(=O)CC(NC(=O)CC(C)c1ccc(F)cc1)c1ccccc1Cl.
What is the InChIKey of methyl 3-(2-chlorophenyl)-3-[3-(4-fluorophenyl)butanoylamino]propanoate?
The InChIKey is JLSFOXBVGNQNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO3/c1-13(14-7-9-15(22)10-8-14)11-19(24)23-18(12-20(25)26-2)16-5-3-4-6-17(16)21/h3-10,13,18H,11-12H2,1-2H3,(H,23,24).
What are the key properties of methyl 3-(2-chlorophenyl)-3-[3-(4-fluorophenyl)butanoylamino]propanoate?
methyl 3-(2-chlorophenyl)-3-[3-(4-fluorophenyl)butanoylamino]propanoate has a molecular weight of 377.84 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-chlorophenyl)-3-[3-(4-fluorophenyl)butanoylamino]propanoate is sourced from PubChem (CID 55925524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).