methyl 2-(difluoromethoxy)-5-[(1-methoxycyclopentanecarbonyl)amino]benzoate

C16H19F2NO5 — CID 166300938

IUPACmethyl 2-(difluoromethoxy)-5-[(1-methoxycyclopentanecarbonyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)C2(OC)CCCC2)ccc1OC(F)F
InChIInChI=1S/C16H19F2NO5/c1-22-13(20)11-9-10(5-6-12(11)24-15(17)18)19-14(21)16(23-2)7-3-4-8-16/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,19,21)
InChIKeyBNIOMHMZRRPWNV-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.97
Rot. Bonds6

About methyl 2-(difluoromethoxy)-5-[(1-methoxycyclopentanecarbonyl)amino]benzoate

methyl 2-(difluoromethoxy)-5-[(1-methoxycyclopentanecarbonyl)amino]benzoate (PubChem CID 166300938) has the molecular formula C16H19F2NO5 and a molecular weight of 343.33 g/mol. Its IUPAC name is methyl 2-(difluoromethoxy)-5-[(1-methoxycyclopentanecarbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-(difluoromethoxy)-5-[(1-methoxycyclopentanecarbonyl)amino]benzoate
PubChem CID166300938
Molecular FormulaC16H19F2NO5
Molecular Weight343.33 g/mol
Exact Mass343.12
IUPAC Namemethyl 2-(difluoromethoxy)-5-[(1-methoxycyclopentanecarbonyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)C2(OC)CCCC2)ccc1OC(F)F
InChIInChI=1S/C16H19F2NO5/c1-22-13(20)11-9-10(5-6-12(11)24-15(17)18)19-14(21)16(23-2)7-3-4-8-16/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,19,21)
InChIKeyBNIOMHMZRRPWNV-UHFFFAOYSA-N
XLogP2.97
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-butoxy-5-[(1-methoxycycloheptanecarbonyl)amino]benzoate
CID 100756523
ethyl 2-[(2S)-butan-2-yl]oxy-5-[(1-methoxycyclohexanecarbonyl)amino]benzoate
CID 100756258
methyl 5-[[(1R,3R)-1-methoxy-3-methylcyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate
CID 100756839
ethyl 2-methoxy-5-[(1-methoxycycloheptanecarbonyl)amino]benzoate
CID 100756528
methyl 2-butan-2-yloxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate
CID 133205414
methyl 2-ethoxy-5-[(1-ethoxycyclopentanecarbonyl)amino]benzoate
CID 100761596
methyl 2-ethoxy-5-[(1-ethoxycycloheptanecarbonyl)amino]benzoate
CID 100762098
methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate
CID 100766696
methyl 5-[[(1R,3S)-1-methoxy-3-methylcyclohexanecarbonyl]amino]-2-(2-methylpropoxy)benzoate
CID 100756892
methyl 2-ethoxy-5-[[(1R,3S)-1-methoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100756804
N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 99822738
ethyl 5-[(1-ethoxycycloheptanecarbonyl)amino]-2-propan-2-yloxybenzoate
CID 100762130

Frequently Asked Questions

What is the IUPAC name of methyl 2-(difluoromethoxy)-5-[(1-methoxycyclopentanecarbonyl)amino]benzoate?
The IUPAC name of methyl 2-(difluoromethoxy)-5-[(1-methoxycyclopentanecarbonyl)amino]benzoate (CID 166300938) is methyl 2-(difluoromethoxy)-5-[(1-methoxycyclopentanecarbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-(difluoromethoxy)-5-[(1-methoxycyclopentanecarbonyl)amino]benzoate?
The canonical SMILES for methyl 2-(difluoromethoxy)-5-[(1-methoxycyclopentanecarbonyl)amino]benzoate is COC(=O)c1cc(NC(=O)C2(OC)CCCC2)ccc1OC(F)F.
What is the InChIKey of methyl 2-(difluoromethoxy)-5-[(1-methoxycyclopentanecarbonyl)amino]benzoate?
The InChIKey is BNIOMHMZRRPWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO5/c1-22-13(20)11-9-10(5-6-12(11)24-15(17)18)19-14(21)16(23-2)7-3-4-8-16/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,19,21).
What are the key properties of methyl 2-(difluoromethoxy)-5-[(1-methoxycyclopentanecarbonyl)amino]benzoate?
methyl 2-(difluoromethoxy)-5-[(1-methoxycyclopentanecarbonyl)amino]benzoate has a molecular weight of 343.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(difluoromethoxy)-5-[(1-methoxycyclopentanecarbonyl)amino]benzoate is sourced from PubChem (CID 166300938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).