ethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate

C19H21FN2O3 — CID 120626395

IUPACethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)c1cc(N)ccc1C)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-3-25-18(23)11-17(13-5-7-14(20)8-6-13)22-19(24)16-10-15(21)9-4-12(16)2/h4-10,17H,3,11,21H2,1-2H3,(H,22,24)
InChIKeyWWINFIFCIXADDM-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.14
Rot. Bonds6

About ethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate

ethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate (PubChem CID 120626395) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is ethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate
PubChem CID120626395
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Nameethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)c1cc(N)ccc1C)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-3-25-18(23)11-17(13-5-7-14(20)8-6-13)22-19(24)16-10-15(21)9-4-12(16)2/h4-10,17H,3,11,21H2,1-2H3,(H,22,24)
InChIKeyWWINFIFCIXADDM-UHFFFAOYSA-N
XLogP3.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-methylsulfanylphenyl)propanoate;hydrochloride
CID 120630951
ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
CID 125473012
ethyl (3S)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
CID 125473011
ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7310541
ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 4042935
ethyl 3-(2-aminopentanoylamino)-3-(4-fluorophenyl)propanoate
CID 119307170
ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 3534137
ethyl (3R)-3-(4-fluorophenyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonylamino)propanoate
CID 124573025
ethyl 3-(4-aminophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 18614834
ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917
ethyl 3-[(3-aminocyclohexanecarbonyl)amino]-3-(4-fluorophenyl)propanoate;hydrochloride
CID 119755345
ethyl (3S)-3-(3-fluorophenyl)-3-(1H-indole-3-carbonylamino)propanoate
CID 163773254

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate?
The IUPAC name of ethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate (CID 120626395) is ethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate.
What is the SMILES notation for ethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate?
The canonical SMILES for ethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate is CCOC(=O)CC(NC(=O)c1cc(N)ccc1C)c1ccc(F)cc1.
What is the InChIKey of ethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate?
The InChIKey is WWINFIFCIXADDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-3-25-18(23)11-17(13-5-7-14(20)8-6-13)22-19(24)16-10-15(21)9-4-12(16)2/h4-10,17H,3,11,21H2,1-2H3,(H,22,24).
What are the key properties of ethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate?
ethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate has a molecular weight of 344.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate is sourced from PubChem (CID 120626395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).