methyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate

C16H19F2NO6 — CID 52555320

IUPACmethyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate
SMILESCOC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)C1CCOCC1
InChIInChI=1S/C16H19F2NO6/c1-22-12-7-10(15(21)23-2)11(8-13(12)25-16(17)18)19-14(20)9-3-5-24-6-4-9/h7-9,16H,3-6H2,1-2H3,(H,19,20)
InChIKeyYGRZSZACQRMQGM-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.45
Rot. Bonds6

About methyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate

methyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate (PubChem CID 52555320) has the molecular formula C16H19F2NO6 and a molecular weight of 359.33 g/mol. Its IUPAC name is methyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate
PubChem CID52555320
Molecular FormulaC16H19F2NO6
Molecular Weight359.33 g/mol
Exact Mass359.12
IUPAC Namemethyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate
SMILESCOC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)C1CCOCC1
InChIInChI=1S/C16H19F2NO6/c1-22-12-7-10(15(21)23-2)11(8-13(12)25-16(17)18)19-14(20)9-3-5-24-6-4-9/h7-9,16H,3-6H2,1-2H3,(H,19,20)
InChIKeyYGRZSZACQRMQGM-UHFFFAOYSA-N
XLogP2.45
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate 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)-5-methoxy-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55519935
methyl 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-(difluoromethoxy)-5-methoxybenzoate
CID 55520233
methyl 4,5-dimethoxy-2-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119677781
methyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate
CID 55518993
methyl 2-[(1,1-dioxothiolane-3-carbonyl)amino]-4,5-dimethoxybenzoate
CID 16566473
methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride
CID 119265013
methyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate
CID 55519622
tert-butyl 4-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 39966282
N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide
CID 53410709
[(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
CID 7812138
[(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
CID 7812116
methyl 4-methoxy-5-[(3S)-oxolan-3-yl]oxy-2-(propan-2-ylamino)benzoate
CID 167227540

Frequently Asked Questions

What is the IUPAC name of methyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate?
The IUPAC name of methyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate (CID 52555320) is methyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate?
The canonical SMILES for methyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate is COC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)C1CCOCC1.
What is the InChIKey of methyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate?
The InChIKey is YGRZSZACQRMQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO6/c1-22-12-7-10(15(21)23-2)11(8-13(12)25-16(17)18)19-14(20)9-3-5-24-6-4-9/h7-9,16H,3-6H2,1-2H3,(H,19,20).
What are the key properties of methyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate?
methyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate has a molecular weight of 359.33 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate is sourced from PubChem (CID 52555320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).