methyl 2,4-difluoro-5-[[2-(2-propoxyphenoxy)acetyl]amino]benzoate

C19H19F2NO5 — CID 24659294

IUPACmethyl 2,4-difluoro-5-[[2-(2-propoxyphenoxy)acetyl]amino]benzoate
SMILESCCCOc1ccccc1OCC(=O)Nc1cc(C(=O)OC)c(F)cc1F
InChIInChI=1S/C19H19F2NO5/c1-3-8-26-16-6-4-5-7-17(16)27-11-18(23)22-15-9-12(19(24)25-2)13(20)10-14(15)21/h4-7,9-10H,3,8,11H2,1-2H3,(H,22,23)
InChIKeyVLFSBFUSBJDLBU-UHFFFAOYSA-N
MW379.36 g/mol
LogP3.56
Rot. Bonds8

About methyl 2,4-difluoro-5-[[2-(2-propoxyphenoxy)acetyl]amino]benzoate

methyl 2,4-difluoro-5-[[2-(2-propoxyphenoxy)acetyl]amino]benzoate (PubChem CID 24659294) has the molecular formula C19H19F2NO5 and a molecular weight of 379.36 g/mol. Its IUPAC name is methyl 2,4-difluoro-5-[[2-(2-propoxyphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2,4-difluoro-5-[[2-(2-propoxyphenoxy)acetyl]amino]benzoate
PubChem CID24659294
Molecular FormulaC19H19F2NO5
Molecular Weight379.36 g/mol
Exact Mass379.12
IUPAC Namemethyl 2,4-difluoro-5-[[2-(2-propoxyphenoxy)acetyl]amino]benzoate
SMILESCCCOc1ccccc1OCC(=O)Nc1cc(C(=O)OC)c(F)cc1F
InChIInChI=1S/C19H19F2NO5/c1-3-8-26-16-6-4-5-7-17(16)27-11-18(23)22-15-9-12(19(24)25-2)13(20)10-14(15)21/h4-7,9-10H,3,8,11H2,1-2H3,(H,22,23)
InChIKeyVLFSBFUSBJDLBU-UHFFFAOYSA-N
XLogP3.56
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate
CID 7763972
methyl 2,4-difluoro-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]benzoate
CID 24659279
methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate
CID 24571020
N-(2-ethylphenyl)-2-(2-propoxyphenoxy)acetamide
CID 7750885
N-(4,5-dimethoxy-2-methylphenyl)-2-(2-propoxyphenoxy)acetamide
CID 7751061
methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate
CID 797161
methyl 2-[[2-(2-ethoxyphenoxy)acetyl]amino]-4,5-dimethoxybenzoate
CID 7917770
methyl 2-fluoro-3-propoxybenzoate
CID 146035428
N-(5-chloro-2-pyridinyl)-2-(2-propoxyphenoxy)acetamide
CID 34135754
2-(2-ethoxyphenoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 8893933
methyl 5-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoylamino]-2,4-difluorobenzoate
CID 139215222
N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide
CID 18277509

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-difluoro-5-[[2-(2-propoxyphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 2,4-difluoro-5-[[2-(2-propoxyphenoxy)acetyl]amino]benzoate (CID 24659294) is methyl 2,4-difluoro-5-[[2-(2-propoxyphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2,4-difluoro-5-[[2-(2-propoxyphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 2,4-difluoro-5-[[2-(2-propoxyphenoxy)acetyl]amino]benzoate is CCCOc1ccccc1OCC(=O)Nc1cc(C(=O)OC)c(F)cc1F.
What is the InChIKey of methyl 2,4-difluoro-5-[[2-(2-propoxyphenoxy)acetyl]amino]benzoate?
The InChIKey is VLFSBFUSBJDLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO5/c1-3-8-26-16-6-4-5-7-17(16)27-11-18(23)22-15-9-12(19(24)25-2)13(20)10-14(15)21/h4-7,9-10H,3,8,11H2,1-2H3,(H,22,23).
What are the key properties of methyl 2,4-difluoro-5-[[2-(2-propoxyphenoxy)acetyl]amino]benzoate?
methyl 2,4-difluoro-5-[[2-(2-propoxyphenoxy)acetyl]amino]benzoate has a molecular weight of 379.36 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-difluoro-5-[[2-(2-propoxyphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 24659294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).