[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate

C18H18ClNO4 — CID 7697704

IUPAC[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate
SMILESC[C@@H](NC(=O)COC(=O)COc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C18H18ClNO4/c1-13(15-9-5-6-10-16(15)19)20-17(21)11-24-18(22)12-23-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyCVQNBFAQHNIATJ-CYBMUJFWSA-N
MW347.80 g/mol
LogP3.14
Rot. Bonds7

About [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate

[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate (PubChem CID 7697704) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate
PubChem CID7697704
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate
SMILESC[C@@H](NC(=O)COC(=O)COc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C18H18ClNO4/c1-13(15-9-5-6-10-16(15)19)20-17(21)11-24-18(22)12-23-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyCVQNBFAQHNIATJ-CYBMUJFWSA-N
XLogP3.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate with MolForge

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Related Compounds

[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855207
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018310
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 8526164
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 42978732
N-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide
CID 43297835
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 8579787
[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 8909021
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 8579581
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8611810
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806359

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate?
The IUPAC name of [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate (CID 7697704) is [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate?
The canonical SMILES for [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate is C[C@@H](NC(=O)COC(=O)COc1ccccc1)c1ccccc1Cl.
What is the InChIKey of [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate?
The InChIKey is CVQNBFAQHNIATJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-13(15-9-5-6-10-16(15)19)20-17(21)11-24-18(22)12-23-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate?
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate has a molecular weight of 347.80 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate is sourced from PubChem (CID 7697704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).