[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate

C19H18ClFN2O4 — CID 8662881

IUPAC[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESC[C@@H](NC(=O)COC(=O)CNC(=O)c1cccc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClFN2O4/c1-12(13-5-7-15(20)8-6-13)23-17(24)11-27-18(25)10-22-19(26)14-3-2-4-16(21)9-14/h2-9,12H,10-11H2,1H3,(H,22,26)(H,23,24)/t12-/m1/s1
InChIKeyNHTJFUHBRRSMIK-GFCCVEGCSA-N
MW392.81 g/mol
LogP2.63
Rot. Bonds7

About [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate

[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate (PubChem CID 8662881) has the molecular formula C19H18ClFN2O4 and a molecular weight of 392.81 g/mol. Its IUPAC name is [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
PubChem CID8662881
Molecular FormulaC19H18ClFN2O4
Molecular Weight392.81 g/mol
Exact Mass392.09
IUPAC Name[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESC[C@@H](NC(=O)COC(=O)CNC(=O)c1cccc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClFN2O4/c1-12(13-5-7-15(20)8-6-13)23-17(24)11-27-18(25)10-22-19(26)14-3-2-4-16(21)9-14/h2-9,12H,10-11H2,1H3,(H,22,26)(H,23,24)/t12-/m1/s1
InChIKeyNHTJFUHBRRSMIK-GFCCVEGCSA-N
XLogP2.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.81
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
CID 41133821
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548549
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate
CID 2367537
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884968
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7881831
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662792
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662810
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662788
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662487
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364158
3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24544523
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548358

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate (CID 8662881) is [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate is C[C@@H](NC(=O)COC(=O)CNC(=O)c1cccc(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The InChIKey is NHTJFUHBRRSMIK-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18ClFN2O4/c1-12(13-5-7-15(20)8-6-13)23-17(24)11-27-18(25)10-22-19(26)14-3-2-4-16(21)9-14/h2-9,12H,10-11H2,1H3,(H,22,26)(H,23,24)/t12-/m1/s1.
What are the key properties of [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate has a molecular weight of 392.81 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 8662881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).