methyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate

C19H21ClN2O4 — CID 40919288

IUPACmethyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CN[C@@H](C)c2ccccc2OC)c1
InChIInChI=1S/C19H21ClN2O4/c1-12(14-6-4-5-7-17(14)25-2)21-11-18(23)22-16-10-13(19(24)26-3)8-9-15(16)20/h4-10,12,21H,11H2,1-3H3,(H,22,23)/t12-/m0/s1
InChIKeyJXUCSPFLNLSWMD-LBPRGKRZSA-N
MW376.84 g/mol
LogP3.42
Rot. Bonds7

About methyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate

methyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate (PubChem CID 40919288) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
PubChem CID40919288
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Namemethyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CN[C@@H](C)c2ccccc2OC)c1
InChIInChI=1S/C19H21ClN2O4/c1-12(14-6-4-5-7-17(14)25-2)21-11-18(23)22-16-10-13(19(24)26-3)8-9-15(16)20/h4-10,12,21H,11H2,1-3H3,(H,22,23)/t12-/m0/s1
InChIKeyJXUCSPFLNLSWMD-LBPRGKRZSA-N
XLogP3.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate with MolForge

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Related Compounds

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methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
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2-[1-(2,4-dichlorophenyl)ethylamino]-N-(2-methoxyphenyl)acetamide
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2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
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2-[1-(2-chlorophenyl)ethylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 51171758
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
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methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
CID 110666935
methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate
CID 109007110
methyl 4-chloro-3-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate (CID 40919288) is methyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)CN[C@@H](C)c2ccccc2OC)c1.
What is the InChIKey of methyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate?
The InChIKey is JXUCSPFLNLSWMD-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-12(14-6-4-5-7-17(14)25-2)21-11-18(23)22-16-10-13(19(24)26-3)8-9-15(16)20/h4-10,12,21H,11H2,1-3H3,(H,22,23)/t12-/m0/s1.
What are the key properties of methyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate?
methyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate has a molecular weight of 376.84 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate is sourced from PubChem (CID 40919288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).