2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide

C12H13F3N2O — CID 79853699

IUPAC2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide
SMILESNC1(CC(=O)Nc2cc(F)c(F)cc2F)CCC1
InChIInChI=1S/C12H13F3N2O/c13-7-4-9(15)10(5-8(7)14)17-11(18)6-12(16)2-1-3-12/h4-5H,1-3,6,16H2,(H,17,18)
InChIKeyWSCARIMVIGYLKI-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.31
Rot. Bonds3

About 2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide

2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide (PubChem CID 79853699) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide
PubChem CID79853699
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide
SMILESNC1(CC(=O)Nc2cc(F)c(F)cc2F)CCC1
InChIInChI=1S/C12H13F3N2O/c13-7-4-9(15)10(5-8(7)14)17-11(18)6-12(16)2-1-3-12/h4-5H,1-3,6,16H2,(H,17,18)
InChIKeyWSCARIMVIGYLKI-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(1-aminocyclobutyl)acetyl]amino]-2,4-difluorobenzamide
CID 79851357
2-(1-aminocyclopentyl)-N-(2-fluorophenyl)acetamide
CID 64685138
2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide
CID 79854666
2-(1-aminocyclopentyl)-N-(2,5-dichlorophenyl)acetamide
CID 64683722
2-(1-aminocyclopentyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 64683745
1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide
CID 62816762
2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 64685123
2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide
CID 79766274
2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid
CID 64677158
5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 79844254
2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 79851100
2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide
CID 107599843

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide (CID 79853699) is 2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide is NC1(CC(=O)Nc2cc(F)c(F)cc2F)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide?
The InChIKey is WSCARIMVIGYLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-7-4-9(15)10(5-8(7)14)17-11(18)6-12(16)2-1-3-12/h4-5H,1-3,6,16H2,(H,17,18).
What are the key properties of 2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide?
2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide has a molecular weight of 258.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 79853699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).