3-amino-N-cyclopropyl-5,5-difluoro-2-oxopentanamide

C8H12F2N2O2 — CID 66694124

IUPAC3-amino-N-cyclopropyl-5,5-difluoro-2-oxopentanamide
SMILESNC(CC(F)F)C(=O)C(=O)NC1CC1
InChIInChI=1S/C8H12F2N2O2/c9-6(10)3-5(11)7(13)8(14)12-4-1-2-4/h4-6H,1-3,11H2,(H,12,14)
InChIKeyUGMJWXUEUFSCBZ-UHFFFAOYSA-N
MW206.19 g/mol
LogP-0.18
Rot. Bonds5

About 3-amino-N-cyclopropyl-5,5-difluoro-2-oxopentanamide

3-amino-N-cyclopropyl-5,5-difluoro-2-oxopentanamide (PubChem CID 66694124) has the molecular formula C8H12F2N2O2 and a molecular weight of 206.19 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5,5-difluoro-2-oxopentanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5,5-difluoro-2-oxopentanamide
PubChem CID66694124
Molecular FormulaC8H12F2N2O2
Molecular Weight206.19 g/mol
Exact Mass206.09
IUPAC Name3-amino-N-cyclopropyl-5,5-difluoro-2-oxopentanamide
SMILESNC(CC(F)F)C(=O)C(=O)NC1CC1
InChIInChI=1S/C8H12F2N2O2/c9-6(10)3-5(11)7(13)8(14)12-4-1-2-4/h4-6H,1-3,11H2,(H,12,14)
InChIKeyUGMJWXUEUFSCBZ-UHFFFAOYSA-N
XLogP-0.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-oxopentanamide
CID 58331968
(3S)-3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide
CID 58363563
3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide
CID 58363651
3,3,3-trifluoro-N-[(1R)-2-oxocyclopentyl]propanamide
CID 58413551
3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide
CID 58938761
3-(tert-butylamino)-N-cyclopropyl-6,6,6-trifluoro-2-oxohexanamide
CID 59547309
3,3,3-trifluoro-N-(2-oxocyclopentyl)propanamide
CID 68226345
N-cyclopropyl-3-(ethylamino)-5,5-difluoro-2-oxopentanamide
CID 68285008
N-cyclopropyl-5,5-difluoro-3-(methylamino)-2-oxopentanamide
CID 70286319
3-amino-N-[(2S)-butan-2-yl]-5,5-difluoro-2-oxopentanamide
CID 87111851
3-amino-N-(2-fluoroethyl)-2-oxohexanamide
CID 88254119
N-(6,6,6-trifluoro-2-oxohexan-3-yl)acetamide
CID 88918677

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5,5-difluoro-2-oxopentanamide?
The IUPAC name of 3-amino-N-cyclopropyl-5,5-difluoro-2-oxopentanamide (CID 66694124) is 3-amino-N-cyclopropyl-5,5-difluoro-2-oxopentanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5,5-difluoro-2-oxopentanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5,5-difluoro-2-oxopentanamide is NC(CC(F)F)C(=O)C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5,5-difluoro-2-oxopentanamide?
The InChIKey is UGMJWXUEUFSCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O2/c9-6(10)3-5(11)7(13)8(14)12-4-1-2-4/h4-6H,1-3,11H2,(H,12,14).
What are the key properties of 3-amino-N-cyclopropyl-5,5-difluoro-2-oxopentanamide?
3-amino-N-cyclopropyl-5,5-difluoro-2-oxopentanamide has a molecular weight of 206.19 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5,5-difluoro-2-oxopentanamide is sourced from PubChem (CID 66694124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).