2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone

C14H17F2NO — CID 43795478

IUPAC2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone
SMILESCCCN(CC(=O)c1c(F)cccc1F)C1CC1
InChIInChI=1S/C14H17F2NO/c1-2-8-17(10-6-7-10)9-13(18)14-11(15)4-3-5-12(14)16/h3-5,10H,2,6-9H2,1H3
InChIKeyGLNKOUOOXBDHEG-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.02
Rot. Bonds6

About 2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone

2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone (PubChem CID 43795478) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone
PubChem CID43795478
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone
SMILESCCCN(CC(=O)c1c(F)cccc1F)C1CC1
InChIInChI=1S/C14H17F2NO/c1-2-8-17(10-6-7-10)9-13(18)14-11(15)4-3-5-12(14)16/h3-5,10H,2,6-9H2,1H3
InChIKeyGLNKOUOOXBDHEG-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62619022
1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone
CID 43795533
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone
CID 62036847
2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone
CID 43227933
2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone
CID 43795468
1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796028
2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone
CID 43795464
2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43795545
2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 61445644
1-phenyl-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62031069
2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone
CID 78974150
2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone
CID 61445444

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone?
The IUPAC name of 2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone (CID 43795478) is 2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone is CCCN(CC(=O)c1c(F)cccc1F)C1CC1.
What is the InChIKey of 2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone?
The InChIKey is GLNKOUOOXBDHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-2-8-17(10-6-7-10)9-13(18)14-11(15)4-3-5-12(14)16/h3-5,10H,2,6-9H2,1H3.
What are the key properties of 2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone?
2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone has a molecular weight of 253.29 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 43795478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).