methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate

C16H13ClF2N2O3 — CID 109010264

IUPACmethyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CNc2c(F)cccc2F)c1
InChIInChI=1S/C16H13ClF2N2O3/c1-24-16(23)9-5-6-10(17)13(7-9)21-14(22)8-20-15-11(18)3-2-4-12(15)19/h2-7,20H,8H2,1H3,(H,21,22)
InChIKeyTWFRKVQUZVKJPQ-UHFFFAOYSA-N
MW354.74 g/mol
LogP3.46
Rot. Bonds5

About methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate

methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate (PubChem CID 109010264) has the molecular formula C16H13ClF2N2O3 and a molecular weight of 354.74 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate
PubChem CID109010264
Molecular FormulaC16H13ClF2N2O3
Molecular Weight354.74 g/mol
Exact Mass354.06
IUPAC Namemethyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CNc2c(F)cccc2F)c1
InChIInChI=1S/C16H13ClF2N2O3/c1-24-16(23)9-5-6-10(17)13(7-9)21-14(22)8-20-15-11(18)3-2-4-12(15)19/h2-7,20H,8H2,1H3,(H,21,22)
InChIKeyTWFRKVQUZVKJPQ-UHFFFAOYSA-N
XLogP3.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.74
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate
CID 109007110
methyl 4-chloro-3-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate
CID 109008110
methyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate
CID 109008060
methyl 4-chloro-3-[[2-(2-methoxyanilino)acetyl]amino]benzoate
CID 109009016
methyl 4-chloro-3-[3-(2-fluoroanilino)propanoylamino]benzoate
CID 109037585
methyl 3-[[2-(4-acetylanilino)acetyl]amino]-4-chlorobenzoate
CID 109009875
methyl 4-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 26417367
methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
CID 110666935
methyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 9083030
methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 113000016
methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009027
N-(2,4-dichlorophenyl)-2-(2,6-difluoroanilino)acetamide
CID 78822630

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate (CID 109010264) is methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)CNc2c(F)cccc2F)c1.
What is the InChIKey of methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate?
The InChIKey is TWFRKVQUZVKJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O3/c1-24-16(23)9-5-6-10(17)13(7-9)21-14(22)8-20-15-11(18)3-2-4-12(15)19/h2-7,20H,8H2,1H3,(H,21,22).
What are the key properties of methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate?
methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate has a molecular weight of 354.74 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate is sourced from PubChem (CID 109010264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).