ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate

C19H20FNO3 — CID 3534137

IUPACethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)c1cccc(F)c1)c1ccc(C)cc1
InChIInChI=1S/C19H20FNO3/c1-3-24-18(22)12-17(14-9-7-13(2)8-10-14)21-19(23)15-5-4-6-16(20)11-15/h4-11,17H,3,12H2,1-2H3,(H,21,23)
InChIKeyFKBQBNBFPZCQQM-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.56
Rot. Bonds6

About ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate

ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate (PubChem CID 3534137) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate
PubChem CID3534137
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Nameethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)c1cccc(F)c1)c1ccc(C)cc1
InChIInChI=1S/C19H20FNO3/c1-3-24-18(22)12-17(14-9-7-13(2)8-10-14)21-19(23)15-5-4-6-16(20)11-15/h4-11,17H,3,12H2,1-2H3,(H,21,23)
InChIKeyFKBQBNBFPZCQQM-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-3-(4-methylphenyl)-3-[(3-nitrobenzoyl)amino]propanoate
CID 7310583
ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310542
ethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310480
ethyl (3S)-3-[(4-ethoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7045180
methyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 31861915
ethyl (3S)-3-benzamido-3-(4-ethoxyphenyl)propanoate
CID 7310443
ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 5164713
N-[cyano-(4-methylphenyl)methyl]-3-fluorobenzamide
CID 82123290
ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7310541
ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
CID 125473012
ethyl (3S)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
CID 125473011
3-fluoro-N-(1-phenylpentyl)benzamide
CID 2941019

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate?
The IUPAC name of ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate (CID 3534137) is ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate.
What is the SMILES notation for ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate?
The canonical SMILES for ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate is CCOC(=O)CC(NC(=O)c1cccc(F)c1)c1ccc(C)cc1.
What is the InChIKey of ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate?
The InChIKey is FKBQBNBFPZCQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-3-24-18(22)12-17(14-9-7-13(2)8-10-14)21-19(23)15-5-4-6-16(20)11-15/h4-11,17H,3,12H2,1-2H3,(H,21,23).
What are the key properties of ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate?
ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate has a molecular weight of 329.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 3534137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).