1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid

C13H13F2NO4 — CID 81158711

IUPAC1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1ccccc1OC(F)F
InChIInChI=1S/C13H13F2NO4/c14-12(15)20-9-5-2-1-4-8(9)10(17)16-13(11(18)19)6-3-7-13/h1-2,4-5,12H,3,6-7H2,(H,16,17)(H,18,19)
InChIKeyNTDOEJTZOPGCLA-UHFFFAOYSA-N
MW285.25 g/mol
LogP2.03
Rot. Bonds5

About 1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid

1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81158711) has the molecular formula C13H13F2NO4 and a molecular weight of 285.25 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81158711
Molecular FormulaC13H13F2NO4
Molecular Weight285.25 g/mol
Exact Mass285.08
IUPAC Name1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1ccccc1OC(F)F
InChIInChI=1S/C13H13F2NO4/c14-12(15)20-9-5-2-1-4-8(9)10(17)16-13(11(18)19)6-3-7-13/h1-2,4-5,12H,3,6-7H2,(H,16,17)(H,18,19)
InChIKeyNTDOEJTZOPGCLA-UHFFFAOYSA-N
XLogP2.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018
N-[1-(aminomethyl)cyclopentyl]-2-(difluoromethoxy)benzamide
CID 63754520
N-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide
CID 60704762
1-[[[2-(difluoromethoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544682
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide
CID 103770487
1-[(2-ethylsulfonylbenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81163710
2-(difluoromethoxy)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65309961
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
1-[(2,4-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329545

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid (CID 81158711) is 1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)c1ccccc1OC(F)F.
What is the InChIKey of 1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is NTDOEJTZOPGCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO4/c14-12(15)20-9-5-2-1-4-8(9)10(17)16-13(11(18)19)6-3-7-13/h1-2,4-5,12H,3,6-7H2,(H,16,17)(H,18,19).
What are the key properties of 1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 285.25 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81158711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).