[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate

C17H14Cl2FNO3 — CID 8611803

IUPAC[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate
SMILESC[C@H](NC(=O)COC(=O)c1cccc(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2FNO3/c1-10(11-5-6-14(18)15(19)8-11)21-16(22)9-24-17(23)12-3-2-4-13(20)7-12/h2-8,10H,9H2,1H3,(H,21,22)/t10-/m0/s1
InChIKeySDJSYBSEXZZPJM-JTQLQIEISA-N
MW370.21 g/mol
LogP4.17
Rot. Bonds5

About [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate

[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate (PubChem CID 8611803) has the molecular formula C17H14Cl2FNO3 and a molecular weight of 370.21 g/mol. Its IUPAC name is [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate.

Molecular Properties

Compound Name[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate
PubChem CID8611803
Molecular FormulaC17H14Cl2FNO3
Molecular Weight370.21 g/mol
Exact Mass369.03
IUPAC Name[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate
SMILESC[C@H](NC(=O)COC(=O)c1cccc(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2FNO3/c1-10(11-5-6-14(18)15(19)8-11)21-16(22)9-24-17(23)12-3-2-4-13(20)7-12/h2-8,10H,9H2,1H3,(H,21,22)/t10-/m0/s1
InChIKeySDJSYBSEXZZPJM-JTQLQIEISA-N
XLogP4.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate with MolForge

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Related Compounds

[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate
CID 95181082
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-nitrobenzoate
CID 7768307
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate
CID 8612548
[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 46789450
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 8532627
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 3,4-dichlorobenzoate
CID 7873545
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549671
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860533
[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 46819019
[2-(2-methylpropylamino)-2-oxoethyl] 3-fluorobenzoate
CID 4125940
[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791260
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7515116

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate?
The IUPAC name of [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate (CID 8611803) is [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate.
What is the SMILES notation for [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate?
The canonical SMILES for [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate is C[C@H](NC(=O)COC(=O)c1cccc(F)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate?
The InChIKey is SDJSYBSEXZZPJM-JTQLQIEISA-N. The full InChI is InChI=1S/C17H14Cl2FNO3/c1-10(11-5-6-14(18)15(19)8-11)21-16(22)9-24-17(23)12-3-2-4-13(20)7-12/h2-8,10H,9H2,1H3,(H,21,22)/t10-/m0/s1.
What are the key properties of [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate?
[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate has a molecular weight of 370.21 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate is sourced from PubChem (CID 8611803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).