benzyl 3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate

C25H24FNO3 — CID 164526971

IUPACbenzyl 3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate
SMILESCCc1ccccc1-c1cc(F)cc(C(=O)NCCC(=O)OCc2ccccc2)c1
InChIInChI=1S/C25H24FNO3/c1-2-19-10-6-7-11-23(19)20-14-21(16-22(26)15-20)25(29)27-13-12-24(28)30-17-18-8-4-3-5-9-18/h3-11,14-16H,2,12-13,17H2,1H3,(H,27,29)
InChIKeySRNMRPNKVIEWNP-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.92
Rot. Bonds8

About benzyl 3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate

benzyl 3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate (PubChem CID 164526971) has the molecular formula C25H24FNO3 and a molecular weight of 405.47 g/mol. Its IUPAC name is benzyl 3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate.

Molecular Properties

Compound Namebenzyl 3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate
PubChem CID164526971
Molecular FormulaC25H24FNO3
Molecular Weight405.47 g/mol
Exact Mass405.17
IUPAC Namebenzyl 3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate
SMILESCCc1ccccc1-c1cc(F)cc(C(=O)NCCC(=O)OCc2ccccc2)c1
InChIInChI=1S/C25H24FNO3/c1-2-19-10-6-7-11-23(19)20-14-21(16-22(26)15-20)25(29)27-13-12-24(28)30-17-18-8-4-3-5-9-18/h3-11,14-16H,2,12-13,17H2,1H3,(H,27,29)
InChIKeySRNMRPNKVIEWNP-UHFFFAOYSA-N
XLogP4.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-[[3-(3-tert-butyltriazol-4-yl)-5-fluorobenzoyl]amino]propanoate
CID 164527780
(2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoic acid
CID 164526841
ethyl (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate
CID 164527000
benzyl 3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
CID 155457965
benzyl (2R)-2-amino-3-[[3-(3-ethyl-1,2-thiazol-4-yl)-5-fluorobenzoyl]amino]propanoate
CID 164526873
benzyl 3-[(3-aminobenzoyl)amino]propanoate;2,2,2-trifluoroacetic acid
CID 67827899
benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate
CID 27711366
ethyl 3-[(2-ethylbenzoyl)amino]propanoate
CID 70914012
benzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride
CID 69462227
benzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate
CID 54506547
benzyl (2R)-3-[(3-ethyl-5-fluoro-4-methylbenzoyl)amino]-2-methylpropanoate
CID 164526849
benzyl 3-[[3,6-diamino-5-(2-methoxyethylcarbamoyl)pyrazine-2-carbonyl]amino]propanoate
CID 67890720

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate?
The IUPAC name of benzyl 3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate (CID 164526971) is benzyl 3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate.
What is the SMILES notation for benzyl 3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate?
The canonical SMILES for benzyl 3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate is CCc1ccccc1-c1cc(F)cc(C(=O)NCCC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl 3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate?
The InChIKey is SRNMRPNKVIEWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO3/c1-2-19-10-6-7-11-23(19)20-14-21(16-22(26)15-20)25(29)27-13-12-24(28)30-17-18-8-4-3-5-9-18/h3-11,14-16H,2,12-13,17H2,1H3,(H,27,29).
What are the key properties of benzyl 3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate?
benzyl 3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate has a molecular weight of 405.47 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate is sourced from PubChem (CID 164526971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).