methyl 2-acetamido-5-[(2-chlorophenyl)methoxy]benzoate

C17H16ClNO4 — CID 25235967

IUPACmethyl 2-acetamido-5-[(2-chlorophenyl)methoxy]benzoate
SMILESCOC(=O)c1cc(OCc2ccccc2Cl)ccc1NC(C)=O
InChIInChI=1S/C17H16ClNO4/c1-11(20)19-16-8-7-13(9-14(16)17(21)22-2)23-10-12-5-3-4-6-15(12)18/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyKPVUNJXYJAKQTN-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.66
Rot. Bonds5

About methyl 2-acetamido-5-[(2-chlorophenyl)methoxy]benzoate

methyl 2-acetamido-5-[(2-chlorophenyl)methoxy]benzoate (PubChem CID 25235967) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is methyl 2-acetamido-5-[(2-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-acetamido-5-[(2-chlorophenyl)methoxy]benzoate
PubChem CID25235967
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Namemethyl 2-acetamido-5-[(2-chlorophenyl)methoxy]benzoate
SMILESCOC(=O)c1cc(OCc2ccccc2Cl)ccc1NC(C)=O
InChIInChI=1S/C17H16ClNO4/c1-11(20)19-16-8-7-13(9-14(16)17(21)22-2)23-10-12-5-3-4-6-15(12)18/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyKPVUNJXYJAKQTN-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977
1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone
CID 91864298
2-acetyl-5-[(2-methoxycarbonylphenyl)methoxy]benzoic acid
CID 91863774
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
methyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 17245052
methyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate
CID 100749996
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
N-(4-chloro-2-methylphenyl)-4-[(2-chlorophenyl)methoxy]benzamide
CID 8813256
methyl 2-[(2-chlorophenyl)methoxy]-5-nitrobenzoate
CID 91681745
dimethyl 4-acetamidobenzene-1,3-dicarboxylate
CID 2802943
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide
CID 6462098
3-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)benzamide
CID 30155561

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-5-[(2-chlorophenyl)methoxy]benzoate?
The IUPAC name of methyl 2-acetamido-5-[(2-chlorophenyl)methoxy]benzoate (CID 25235967) is methyl 2-acetamido-5-[(2-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for methyl 2-acetamido-5-[(2-chlorophenyl)methoxy]benzoate?
The canonical SMILES for methyl 2-acetamido-5-[(2-chlorophenyl)methoxy]benzoate is COC(=O)c1cc(OCc2ccccc2Cl)ccc1NC(C)=O.
What is the InChIKey of methyl 2-acetamido-5-[(2-chlorophenyl)methoxy]benzoate?
The InChIKey is KPVUNJXYJAKQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-11(20)19-16-8-7-13(9-14(16)17(21)22-2)23-10-12-5-3-4-6-15(12)18/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of methyl 2-acetamido-5-[(2-chlorophenyl)methoxy]benzoate?
methyl 2-acetamido-5-[(2-chlorophenyl)methoxy]benzoate has a molecular weight of 333.77 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-5-[(2-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 25235967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).