methyl 2,4-difluoro-5-[[3-(oxolane-2-carbonylamino)benzoyl]amino]benzoate

C20H18F2N2O5 — CID 42944601

IUPACmethyl 2,4-difluoro-5-[[3-(oxolane-2-carbonylamino)benzoyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)c(F)cc1F
InChIInChI=1S/C20H18F2N2O5/c1-28-20(27)13-9-16(15(22)10-14(13)21)24-18(25)11-4-2-5-12(8-11)23-19(26)17-6-3-7-29-17/h2,4-5,8-10,17H,3,6-7H2,1H3,(H,23,26)(H,24,25)
InChIKeyWGKGQINQOVCBNM-UHFFFAOYSA-N
MW404.37 g/mol
LogP3.12
Rot. Bonds5

About methyl 2,4-difluoro-5-[[3-(oxolane-2-carbonylamino)benzoyl]amino]benzoate

methyl 2,4-difluoro-5-[[3-(oxolane-2-carbonylamino)benzoyl]amino]benzoate (PubChem CID 42944601) has the molecular formula C20H18F2N2O5 and a molecular weight of 404.37 g/mol. Its IUPAC name is methyl 2,4-difluoro-5-[[3-(oxolane-2-carbonylamino)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2,4-difluoro-5-[[3-(oxolane-2-carbonylamino)benzoyl]amino]benzoate
PubChem CID42944601
Molecular FormulaC20H18F2N2O5
Molecular Weight404.37 g/mol
Exact Mass404.12
IUPAC Namemethyl 2,4-difluoro-5-[[3-(oxolane-2-carbonylamino)benzoyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)c(F)cc1F
InChIInChI=1S/C20H18F2N2O5/c1-28-20(27)13-9-16(15(22)10-14(13)21)24-18(25)11-4-2-5-12(8-11)23-19(26)17-6-3-7-29-17/h2,4-5,8-10,17H,3,6-7H2,1H3,(H,23,26)(H,24,25)
InChIKeyWGKGQINQOVCBNM-UHFFFAOYSA-N
XLogP3.12
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2,4-difluoro-5-[[3-(oxolane-2-carbonylamino)benzoyl]amino]benzoate with MolForge

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Related Compounds

N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
N-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46635100
N-[3-[(3-chloro-2-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049754
methyl 3-[2-[3-[[3-(oxolane-2-carbonylamino)benzoyl]amino]phenyl]ethynyl]benzoate
CID 46541035
(2S)-N-[3-[(2-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 31700256
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
methyl 5-[(3-bromobenzoyl)amino]-2,4-difluorobenzoate
CID 46539881
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947
(2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 32979083
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943946
N-[3-[(2,3-dichlorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049586
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-difluoro-5-[[3-(oxolane-2-carbonylamino)benzoyl]amino]benzoate?
The IUPAC name of methyl 2,4-difluoro-5-[[3-(oxolane-2-carbonylamino)benzoyl]amino]benzoate (CID 42944601) is methyl 2,4-difluoro-5-[[3-(oxolane-2-carbonylamino)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2,4-difluoro-5-[[3-(oxolane-2-carbonylamino)benzoyl]amino]benzoate?
The canonical SMILES for methyl 2,4-difluoro-5-[[3-(oxolane-2-carbonylamino)benzoyl]amino]benzoate is COC(=O)c1cc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)c(F)cc1F.
What is the InChIKey of methyl 2,4-difluoro-5-[[3-(oxolane-2-carbonylamino)benzoyl]amino]benzoate?
The InChIKey is WGKGQINQOVCBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O5/c1-28-20(27)13-9-16(15(22)10-14(13)21)24-18(25)11-4-2-5-12(8-11)23-19(26)17-6-3-7-29-17/h2,4-5,8-10,17H,3,6-7H2,1H3,(H,23,26)(H,24,25).
What are the key properties of methyl 2,4-difluoro-5-[[3-(oxolane-2-carbonylamino)benzoyl]amino]benzoate?
methyl 2,4-difluoro-5-[[3-(oxolane-2-carbonylamino)benzoyl]amino]benzoate has a molecular weight of 404.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-difluoro-5-[[3-(oxolane-2-carbonylamino)benzoyl]amino]benzoate is sourced from PubChem (CID 42944601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).