ethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate

C19H20FNO3 — CID 100648056

IUPACethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C19H20FNO3/c1-3-24-19(23)15-7-10-17(13(2)12-15)21-18(22)11-6-14-4-8-16(20)9-5-14/h4-5,7-10,12H,3,6,11H2,1-2H3,(H,21,22)
InChIKeyOIDYJNOQXCZVOV-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.88
Rot. Bonds6

About ethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate

ethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate (PubChem CID 100648056) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is ethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate.

Molecular Properties

Compound Nameethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate
PubChem CID100648056
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Nameethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C19H20FNO3/c1-3-24-19(23)15-7-10-17(13(2)12-15)21-18(22)11-6-14-4-8-16(20)9-5-14/h4-5,7-10,12H,3,6,11H2,1-2H3,(H,21,22)
InChIKeyOIDYJNOQXCZVOV-UHFFFAOYSA-N
XLogP3.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
CID 100591736
ethyl 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate
CID 100658596
ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 27844298
methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
CID 36930959
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
3-methyl-4-[3-(4-methylphenyl)propanoylamino]benzoic acid
CID 17341392
ethyl 4-[(2-cyanoacetyl)amino]-3-methylbenzoate
CID 83303062
3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 86922885
ethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate
CID 100608391
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-fluorophenyl)propanamide
CID 36565619
methyl 4-(3-aminopropanoylamino)-3-methylbenzoate
CID 43712706
methyl 4-(3-bromopropanoylamino)-3-methylbenzoate
CID 13400011

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate?
The IUPAC name of ethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate (CID 100648056) is ethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate.
What is the SMILES notation for ethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate?
The canonical SMILES for ethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate is CCOC(=O)c1ccc(NC(=O)CCc2ccc(F)cc2)c(C)c1.
What is the InChIKey of ethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate?
The InChIKey is OIDYJNOQXCZVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-3-24-19(23)15-7-10-17(13(2)12-15)21-18(22)11-6-14-4-8-16(20)9-5-14/h4-5,7-10,12H,3,6,11H2,1-2H3,(H,21,22).
What are the key properties of ethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate?
ethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate has a molecular weight of 329.37 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate is sourced from PubChem (CID 100648056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).