[2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate

C18H17Cl2NO3 — CID 95796841

IUPAC[2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate
SMILESCc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-11-3-5-13(6-4-11)12(2)21-17(22)10-24-18(23)15-8-7-14(19)9-16(15)20/h3-9,12H,10H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyMAQJNQUUKQKKLU-GFCCVEGCSA-N
MW366.24 g/mol
LogP4.34
Rot. Bonds5

About [2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate

[2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate (PubChem CID 95796841) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is [2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate
PubChem CID95796841
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name[2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate
SMILESCc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-11-3-5-13(6-4-11)12(2)21-17(22)10-24-18(23)15-8-7-14(19)9-16(15)20/h3-9,12H,10H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyMAQJNQUUKQKKLU-GFCCVEGCSA-N
XLogP4.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate with MolForge

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Related Compounds

[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 7873156
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 7747579
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 7980169
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7772041
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7772045
[2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 2715251
2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43915384
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 7764132
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 2506559
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 18202404
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8878593
[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864373

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate?
The IUPAC name of [2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate (CID 95796841) is [2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate.
What is the SMILES notation for [2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate?
The canonical SMILES for [2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate is Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate?
The InChIKey is MAQJNQUUKQKKLU-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-11-3-5-13(6-4-11)12(2)21-17(22)10-24-18(23)15-8-7-14(19)9-16(15)20/h3-9,12H,10H2,1-2H3,(H,21,22)/t12-/m1/s1.
What are the key properties of [2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate?
[2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate has a molecular weight of 366.24 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate is sourced from PubChem (CID 95796841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).