methyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate

C18H18F2N2O4 — CID 34075412

IUPACmethyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NCC(=O)Nc2ccccc2OC(F)F)c1C
InChIInChI=1S/C18H18F2N2O4/c1-11-12(17(24)25-2)6-5-8-13(11)21-10-16(23)22-14-7-3-4-9-15(14)26-18(19)20/h3-9,18,21H,10H2,1-2H3,(H,22,23)
InChIKeyFJGUGQHBLNADPU-UHFFFAOYSA-N
MW364.35 g/mol
LogP3.43
Rot. Bonds7

About methyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate

methyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate (PubChem CID 34075412) has the molecular formula C18H18F2N2O4 and a molecular weight of 364.35 g/mol. Its IUPAC name is methyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate
PubChem CID34075412
Molecular FormulaC18H18F2N2O4
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC Namemethyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NCC(=O)Nc2ccccc2OC(F)F)c1C
InChIInChI=1S/C18H18F2N2O4/c1-11-12(17(24)25-2)6-5-8-13(11)21-10-16(23)22-14-7-3-4-9-15(14)26-18(19)20/h3-9,18,21H,10H2,1-2H3,(H,22,23)
InChIKeyFJGUGQHBLNADPU-UHFFFAOYSA-N
XLogP3.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-methylbenzoate
CID 34075251
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyanilino)acetamide
CID 9102233
2-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
CID 2437754
2-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 9102880
N-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide
CID 51108580
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 2119005
N-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide
CID 43146653
methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate
CID 9103322
2-[2-(2-chlorophenoxy)anilino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 35822670
methyl 3-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-methylbenzoate
CID 34075159
2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54812884
2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 9099494

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate?
The IUPAC name of methyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate (CID 34075412) is methyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate is COC(=O)c1cccc(NCC(=O)Nc2ccccc2OC(F)F)c1C.
What is the InChIKey of methyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate?
The InChIKey is FJGUGQHBLNADPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4/c1-11-12(17(24)25-2)6-5-8-13(11)21-10-16(23)22-14-7-3-4-9-15(14)26-18(19)20/h3-9,18,21H,10H2,1-2H3,(H,22,23).
What are the key properties of methyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate?
methyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate has a molecular weight of 364.35 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate is sourced from PubChem (CID 34075412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).