ethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate

C19H20ClNO4 — CID 7471705

IUPACethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H20ClNO4/c1-3-24-19(23)14-7-9-17(10-8-14)25-12-18(22)21-13(2)15-5-4-6-16(20)11-15/h4-11,13H,3,12H2,1-2H3,(H,21,22)/t13-/m0/s1
InChIKeyFDRFQAHSWUEWTJ-ZDUSSCGKSA-N
MW361.83 g/mol
LogP3.77
Rot. Bonds7

About ethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate

ethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate (PubChem CID 7471705) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is ethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate
PubChem CID7471705
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Nameethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H20ClNO4/c1-3-24-19(23)14-7-9-17(10-8-14)25-12-18(22)21-13(2)15-5-4-6-16(20)11-15/h4-11,13H,3,12H2,1-2H3,(H,21,22)/t13-/m0/s1
InChIKeyFDRFQAHSWUEWTJ-ZDUSSCGKSA-N
XLogP3.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate with MolForge

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 7788222
2-(4-benzoylphenoxy)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 7717900
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 7980176
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 7980175
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7515116
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-cyanophenoxy)acetamide
CID 7503511
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-phenylbenzoate
CID 7749846
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 92538097
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7478194
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-methylbenzoate
CID 7382117
N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42989371
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 7445691

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate?
The IUPAC name of ethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate (CID 7471705) is ethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate.
What is the SMILES notation for ethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate?
The canonical SMILES for ethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate is CCOC(=O)c1ccc(OCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1.
What is the InChIKey of ethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate?
The InChIKey is FDRFQAHSWUEWTJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-3-24-19(23)14-7-9-17(10-8-14)25-12-18(22)21-13(2)15-5-4-6-16(20)11-15/h4-11,13H,3,12H2,1-2H3,(H,21,22)/t13-/m0/s1.
What are the key properties of ethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate?
ethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate has a molecular weight of 361.83 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate is sourced from PubChem (CID 7471705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).