methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate

C19H18F2N2O6 — CID 55727946

IUPACmethyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)c1
InChIInChI=1S/C19H18F2N2O6/c1-27-15-9-12(6-7-14(15)29-19(20)21)18(26)23-13-5-3-4-11(8-13)17(25)22-10-16(24)28-2/h3-9,19H,10H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOMRJCVMCDVSYFY-UHFFFAOYSA-N
MW408.36 g/mol
LogP2.45
Rot. Bonds8

About methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate

methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate (PubChem CID 55727946) has the molecular formula C19H18F2N2O6 and a molecular weight of 408.36 g/mol. Its IUPAC name is methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate
PubChem CID55727946
Molecular FormulaC19H18F2N2O6
Molecular Weight408.36 g/mol
Exact Mass408.11
IUPAC Namemethyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)c1
InChIInChI=1S/C19H18F2N2O6/c1-27-15-9-12(6-7-14(15)29-19(20)21)18(26)23-13-5-3-4-11(8-13)17(25)22-10-16(24)28-2/h3-9,19H,10H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOMRJCVMCDVSYFY-UHFFFAOYSA-N
XLogP2.45
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate with MolForge

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Related Compounds

4-(difluoromethoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 9412323
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9412072
N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 46482952
phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580682
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]benzamide
CID 55527987
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 8503672
methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate
CID 175497729
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 38842372
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate (CID 55727946) is methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1cccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)c1.
What is the InChIKey of methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate?
The InChIKey is OMRJCVMCDVSYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O6/c1-27-15-9-12(6-7-14(15)29-19(20)21)18(26)23-13-5-3-4-11(8-13)17(25)22-10-16(24)28-2/h3-9,19H,10H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate?
methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate has a molecular weight of 408.36 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 55727946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).