methyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate

C18H17Cl2NO4 — CID 7965600

IUPACmethyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO4/c1-11(15-8-5-13(19)9-16(15)20)21-17(22)10-25-14-6-3-12(4-7-14)18(23)24-2/h3-9,11H,10H2,1-2H3,(H,21,22)/t11-/m1/s1
InChIKeyKCCJFFBUOAHPEH-LLVKDONJSA-N
MW382.24 g/mol
LogP4.04
Rot. Bonds6

About methyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate

methyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate (PubChem CID 7965600) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is methyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate
PubChem CID7965600
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Namemethyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO4/c1-11(15-8-5-13(19)9-16(15)20)21-17(22)10-25-14-6-3-12(4-7-14)18(23)24-2/h3-9,11H,10H2,1-2H3,(H,21,22)/t11-/m1/s1
InChIKeyKCCJFFBUOAHPEH-LLVKDONJSA-N
XLogP4.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate with MolForge

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Related Compounds

2-(4-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 16546897
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 2506559
methyl 4-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7965082
methyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate
CID 32912046
methyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate
CID 7667580
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 2565835
2-(4-chlorophenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217637
methyl 4-[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethoxy]benzoate
CID 9019633
2-(4-chlorophenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719123
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
methyl 4-[(1S)-1-acetamidoethyl]-3-chlorobenzoate
CID 58306484
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate
CID 8612548

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate?
The IUPAC name of methyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate (CID 7965600) is methyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate is COC(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of methyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate?
The InChIKey is KCCJFFBUOAHPEH-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-11(15-8-5-13(19)9-16(15)20)21-17(22)10-25-14-6-3-12(4-7-14)18(23)24-2/h3-9,11H,10H2,1-2H3,(H,21,22)/t11-/m1/s1.
What are the key properties of methyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate?
methyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate has a molecular weight of 382.24 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate is sourced from PubChem (CID 7965600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).