[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate

C19H19ClFNO3 — CID 7820326

IUPAC[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
SMILESCCc1ccc([C@H](C)NC(=O)COC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H19ClFNO3/c1-3-13-7-9-14(10-8-13)12(2)22-17(23)11-25-19(24)18-15(20)5-4-6-16(18)21/h4-10,12H,3,11H2,1-2H3,(H,22,23)/t12-/m0/s1
InChIKeyMURKEYOHYJSEQZ-LBPRGKRZSA-N
MW363.82 g/mol
LogP4.08
Rot. Bonds6

About [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate

[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate (PubChem CID 7820326) has the molecular formula C19H19ClFNO3 and a molecular weight of 363.82 g/mol. Its IUPAC name is [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate.

Molecular Properties

Compound Name[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
PubChem CID7820326
Molecular FormulaC19H19ClFNO3
Molecular Weight363.82 g/mol
Exact Mass363.10
IUPAC Name[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
SMILESCCc1ccc([C@H](C)NC(=O)COC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H19ClFNO3/c1-3-13-7-9-14(10-8-13)12(2)22-17(23)11-25-19(24)18-15(20)5-4-6-16(18)21/h4-10,12H,3,11H2,1-2H3,(H,22,23)/t12-/m0/s1
InChIKeyMURKEYOHYJSEQZ-LBPRGKRZSA-N
XLogP4.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820806
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 9007241
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676122
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7868318
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515584
[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2,6-difluorobenzoate
CID 46821270
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 8021492
1-(2-chloro-6-fluorophenyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108896439
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718405
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7970041
[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-chlorobenzoate
CID 7866504
[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate
CID 8611803

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The IUPAC name of [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate (CID 7820326) is [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate.
What is the SMILES notation for [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The canonical SMILES for [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate is CCc1ccc([C@H](C)NC(=O)COC(=O)c2c(F)cccc2Cl)cc1.
What is the InChIKey of [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The InChIKey is MURKEYOHYJSEQZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19ClFNO3/c1-3-13-7-9-14(10-8-13)12(2)22-17(23)11-25-19(24)18-15(20)5-4-6-16(18)21/h4-10,12H,3,11H2,1-2H3,(H,22,23)/t12-/m0/s1.
What are the key properties of [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate?
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate has a molecular weight of 363.82 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate is sourced from PubChem (CID 7820326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).