5-[[2-(1-aminocyclobutyl)acetyl]amino]-2,4-difluorobenzamide

C13H15F2N3O2 — CID 79851357

IUPAC5-[[2-(1-aminocyclobutyl)acetyl]amino]-2,4-difluorobenzamide
SMILESNC(=O)c1cc(NC(=O)CC2(N)CCC2)c(F)cc1F
InChIInChI=1S/C13H15F2N3O2/c14-8-5-9(15)10(4-7(8)12(16)20)18-11(19)6-13(17)2-1-3-13/h4-5H,1-3,6,17H2,(H2,16,20)(H,18,19)
InChIKeyMIHXTSWXFAAKST-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.27
Rot. Bonds4

About 5-[[2-(1-aminocyclobutyl)acetyl]amino]-2,4-difluorobenzamide

5-[[2-(1-aminocyclobutyl)acetyl]amino]-2,4-difluorobenzamide (PubChem CID 79851357) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 5-[[2-(1-aminocyclobutyl)acetyl]amino]-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-[[2-(1-aminocyclobutyl)acetyl]amino]-2,4-difluorobenzamide
PubChem CID79851357
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name5-[[2-(1-aminocyclobutyl)acetyl]amino]-2,4-difluorobenzamide
SMILESNC(=O)c1cc(NC(=O)CC2(N)CCC2)c(F)cc1F
InChIInChI=1S/C13H15F2N3O2/c14-8-5-9(15)10(4-7(8)12(16)20)18-11(19)6-13(17)2-1-3-13/h4-5H,1-3,6,17H2,(H2,16,20)(H,18,19)
InChIKeyMIHXTSWXFAAKST-UHFFFAOYSA-N
XLogP1.27
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide
CID 79853699
5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide
CID 43699282
4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid
CID 54868061
2-(1-aminocyclopentyl)-N-(2-fluorophenyl)acetamide
CID 64685138
5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid
CID 60942030
2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide
CID 79854666
4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide
CID 79851201
2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid
CID 64677158
2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide
CID 60849658
2-(1-aminocyclopentyl)-N-(2,5-dichlorophenyl)acetamide
CID 64683722
2-(1-aminocyclopentyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 64683745
2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 64685123

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-aminocyclobutyl)acetyl]amino]-2,4-difluorobenzamide?
The IUPAC name of 5-[[2-(1-aminocyclobutyl)acetyl]amino]-2,4-difluorobenzamide (CID 79851357) is 5-[[2-(1-aminocyclobutyl)acetyl]amino]-2,4-difluorobenzamide.
What is the SMILES notation for 5-[[2-(1-aminocyclobutyl)acetyl]amino]-2,4-difluorobenzamide?
The canonical SMILES for 5-[[2-(1-aminocyclobutyl)acetyl]amino]-2,4-difluorobenzamide is NC(=O)c1cc(NC(=O)CC2(N)CCC2)c(F)cc1F.
What is the InChIKey of 5-[[2-(1-aminocyclobutyl)acetyl]amino]-2,4-difluorobenzamide?
The InChIKey is MIHXTSWXFAAKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c14-8-5-9(15)10(4-7(8)12(16)20)18-11(19)6-13(17)2-1-3-13/h4-5H,1-3,6,17H2,(H2,16,20)(H,18,19).
What are the key properties of 5-[[2-(1-aminocyclobutyl)acetyl]amino]-2,4-difluorobenzamide?
5-[[2-(1-aminocyclobutyl)acetyl]amino]-2,4-difluorobenzamide has a molecular weight of 283.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1-aminocyclobutyl)acetyl]amino]-2,4-difluorobenzamide is sourced from PubChem (CID 79851357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).