methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate

C17H16ClNO4 — CID 100633924

IUPACmethyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(NC(=O)Cc2ccccc2Cl)c1
InChIInChI=1S/C17H16ClNO4/c1-22-15-8-7-12(17(21)23-2)9-14(15)19-16(20)10-11-5-3-4-6-13(11)18/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyZXLCAMZVJUGFKX-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.32
Rot. Bonds5

About methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate

methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate (PubChem CID 100633924) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate
PubChem CID100633924
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Namemethyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(NC(=O)Cc2ccccc2Cl)c1
InChIInChI=1S/C17H16ClNO4/c1-22-15-8-7-12(17(21)23-2)9-14(15)19-16(20)10-11-5-3-4-6-13(11)18/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyZXLCAMZVJUGFKX-UHFFFAOYSA-N
XLogP3.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)acetamide
CID 2666806
methyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate
CID 100749996
methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108946951
methyl 4-chloro-3-[[2-(2-methoxyanilino)acetyl]amino]benzoate
CID 109009016
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
CID 956278
2-(2-chlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 100632426
N-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
CID 110783955
methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009027
2-(2-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 15944808
dimethyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,4-dicarboxylate
CID 22388140
2-(2-chlorophenyl)-N-(2,5-diethoxyphenyl)acetamide
CID 26179955
methyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
CID 40919288

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate?
The IUPAC name of methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate (CID 100633924) is methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate.
What is the SMILES notation for methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate?
The canonical SMILES for methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate is COC(=O)c1ccc(OC)c(NC(=O)Cc2ccccc2Cl)c1.
What is the InChIKey of methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate?
The InChIKey is ZXLCAMZVJUGFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-22-15-8-7-12(17(21)23-2)9-14(15)19-16(20)10-11-5-3-4-6-13(11)18/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate?
methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate has a molecular weight of 333.77 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate is sourced from PubChem (CID 100633924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).