methyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate

C17H16ClNO4 — CID 7688183

IUPACmethyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H16ClNO4/c1-22-17(21)13-7-5-12(6-8-13)10-19-16(20)11-23-15-4-2-3-14(18)9-15/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyKRULQDWNUGDAOK-UHFFFAOYSA-N
MW333.77 g/mol
LogP2.82
Rot. Bonds6

About methyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate

methyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate (PubChem CID 7688183) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is methyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate
PubChem CID7688183
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Namemethyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H16ClNO4/c1-22-17(21)13-7-5-12(6-8-13)10-19-16(20)11-23-15-4-2-3-14(18)9-15/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyKRULQDWNUGDAOK-UHFFFAOYSA-N
XLogP2.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
2-(3-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2707667
methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate
CID 30789870
2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 2616931
methyl 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]benzoate
CID 46411540
methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate
CID 7931566
1-[[2-(3-chlorophenoxy)acetyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 9478901
N-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 162640903
dimethyl 2-[[2-(3-chlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
CID 1184734
2-(3-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112977714
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
methyl 4-[[[N-[(3-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzoate
CID 111162309

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate (CID 7688183) is methyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)COc2cccc(Cl)c2)cc1.
What is the InChIKey of methyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate?
The InChIKey is KRULQDWNUGDAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-22-17(21)13-7-5-12(6-8-13)10-19-16(20)11-23-15-4-2-3-14(18)9-15/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of methyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate?
methyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate has a molecular weight of 333.77 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate is sourced from PubChem (CID 7688183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).