[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate

C14H15F2NO4 — CID 4876666

IUPAC[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
SMILESCC(OC(=O)c1ccc(OC(F)F)cc1)C(=O)NC1CC1
InChIInChI=1S/C14H15F2NO4/c1-8(12(18)17-10-4-5-10)20-13(19)9-2-6-11(7-3-9)21-14(15)16/h2-3,6-8,10,14H,4-5H2,1H3,(H,17,18)
InChIKeyYEKDPKRWXWVZIS-UHFFFAOYSA-N
MW299.27 g/mol
LogP2.11
Rot. Bonds6

About [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate

[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate (PubChem CID 4876666) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
PubChem CID4876666
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
SMILESCC(OC(=O)c1ccc(OC(F)F)cc1)C(=O)NC1CC1
InChIInChI=1S/C14H15F2NO4/c1-8(12(18)17-10-4-5-10)20-13(19)9-2-6-11(7-3-9)21-14(15)16/h2-3,6-8,10,14H,4-5H2,1H3,(H,17,18)
InChIKeyYEKDPKRWXWVZIS-UHFFFAOYSA-N
XLogP2.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7507003
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7193376
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7781150
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506979
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 7290980
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478290
4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide
CID 7931426
[(2R)-1-amino-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 2612532
(1-amino-1-oxopropan-2-yl) 4-(difluoromethoxy)benzoate
CID 18076582
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 6998373
[(2R)-1-[[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 98401762
[(2R)-1-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 98401760

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate?
The IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate (CID 4876666) is [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate.
What is the SMILES notation for [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate?
The canonical SMILES for [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate is CC(OC(=O)c1ccc(OC(F)F)cc1)C(=O)NC1CC1.
What is the InChIKey of [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate?
The InChIKey is YEKDPKRWXWVZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO4/c1-8(12(18)17-10-4-5-10)20-13(19)9-2-6-11(7-3-9)21-14(15)16/h2-3,6-8,10,14H,4-5H2,1H3,(H,17,18).
What are the key properties of [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate?
[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate has a molecular weight of 299.27 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate is sourced from PubChem (CID 4876666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).