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

C17H15F2NO5 — CID 91650571

IUPACmethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-3-methoxybenzoate
SMILESCOC(=O)c1cccc(OC)c1NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15F2NO5/c1-23-13-5-3-4-12(16(22)24-2)14(13)20-15(21)10-6-8-11(9-7-10)25-17(18)19/h3-9,17H,1-2H3,(H,20,21)
InChIKeyRXNUNQWNDLGCDH-UHFFFAOYSA-N
MW351.31 g/mol
LogP3.34
Rot. Bonds6

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

methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-3-methoxybenzoate (PubChem CID 91650571) has the molecular formula C17H15F2NO5 and a molecular weight of 351.31 g/mol. Its IUPAC name is methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-3-methoxybenzoate
PubChem CID91650571
Molecular FormulaC17H15F2NO5
Molecular Weight351.31 g/mol
Exact Mass351.09
IUPAC Namemethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-3-methoxybenzoate
SMILESCOC(=O)c1cccc(OC)c1NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15F2NO5/c1-23-13-5-3-4-12(16(22)24-2)14(13)20-15(21)10-6-8-11(9-7-10)25-17(18)19/h3-9,17H,1-2H3,(H,20,21)
InChIKeyRXNUNQWNDLGCDH-UHFFFAOYSA-N
XLogP3.34
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-[[4-(difluoromethoxy)benzoyl]amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] 2-methoxybenzoate
CID 2337822
dimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate
CID 2682917
3-methoxy-2-[(4-methylbenzoyl)amino]benzamide
CID 90202874
2-[(4-chlorobenzoyl)amino]-3-methoxybenzamide
CID 90202953
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
2-[[4-(difluoromethoxy)benzoyl]amino]-N-ethylbenzamide
CID 35302926
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359355
ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 31420731
methyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate
CID 56824300
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
methyl 2-chloro-3-methoxybenzoate
CID 10262208

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-3-methoxybenzoate?
The IUPAC name of methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-3-methoxybenzoate (CID 91650571) is methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-3-methoxybenzoate.
What is the SMILES notation for methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-3-methoxybenzoate?
The canonical SMILES for methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-3-methoxybenzoate is COC(=O)c1cccc(OC)c1NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-3-methoxybenzoate?
The InChIKey is RXNUNQWNDLGCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO5/c1-23-13-5-3-4-12(16(22)24-2)14(13)20-15(21)10-6-8-11(9-7-10)25-17(18)19/h3-9,17H,1-2H3,(H,20,21).
What are the key properties of methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-3-methoxybenzoate?
methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-3-methoxybenzoate has a molecular weight of 351.31 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-3-methoxybenzoate is sourced from PubChem (CID 91650571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).