methyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate

C17H13F4NO5 — CID 55519622

IUPACmethyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C17H13F4NO5/c1-25-13-6-10(16(24)26-2)12(7-14(13)27-17(20)21)22-15(23)9-5-8(18)3-4-11(9)19/h3-7,17H,1-2H3,(H,22,23)
InChIKeyKYFBBOKKVQFVIB-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.61
Rot. Bonds6

About methyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate

methyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate (PubChem CID 55519622) has the molecular formula C17H13F4NO5 and a molecular weight of 387.29 g/mol. Its IUPAC name is methyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate
PubChem CID55519622
Molecular FormulaC17H13F4NO5
Molecular Weight387.29 g/mol
Exact Mass387.07
IUPAC Namemethyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C17H13F4NO5/c1-25-13-6-10(16(24)26-2)12(7-14(13)27-17(20)21)22-15(23)9-5-8(18)3-4-11(9)19/h3-7,17H,1-2H3,(H,22,23)
InChIKeyKYFBBOKKVQFVIB-UHFFFAOYSA-N
XLogP3.61
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate
CID 55518993
N-(2-chloro-4,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 18139978
N-[2-(difluoromethoxy)phenyl]-5-fluoro-2-methoxybenzamide
CID 31079743
methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 17428347
methyl 4-(difluoromethoxy)-5-methoxy-2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]benzoate
CID 55913127
methyl 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4-(difluoromethoxy)-5-methoxybenzoate
CID 55519103
methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate
CID 27845329
N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide
CID 17394633
methyl 4-(difluoromethoxy)-5-methoxy-2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 55519315
methyl 4-(difluoromethoxy)-5-methoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 55520028
N-(5-bromo-2-methoxyphenyl)-2,5-difluorobenzamide
CID 61074380
N-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide
CID 17422602

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate?
The IUPAC name of methyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate (CID 55519622) is methyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate.
What is the SMILES notation for methyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate?
The canonical SMILES for methyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate is COC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)c1cc(F)ccc1F.
What is the InChIKey of methyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate?
The InChIKey is KYFBBOKKVQFVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4NO5/c1-25-13-6-10(16(24)26-2)12(7-14(13)27-17(20)21)22-15(23)9-5-8(18)3-4-11(9)19/h3-7,17H,1-2H3,(H,22,23).
What are the key properties of methyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate?
methyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate has a molecular weight of 387.29 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate is sourced from PubChem (CID 55519622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).