5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide

C13H17F2N3O2 — CID 61109173

IUPAC5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H17F2N3O2/c1-7(2)5-18(6-12(17)19)13(20)8-3-11(16)10(15)4-9(8)14/h3-4,7H,5-6,16H2,1-2H3,(H2,17,19)
InChIKeyPRCONIRXTUOGKG-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.13
Rot. Bonds5

About 5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide

5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide (PubChem CID 61109173) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
PubChem CID61109173
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H17F2N3O2/c1-7(2)5-18(6-12(17)19)13(20)8-3-11(16)10(15)4-9(8)14/h3-4,7H,5-6,16H2,1-2H3,(H2,17,19)
InChIKeyPRCONIRXTUOGKG-UHFFFAOYSA-N
XLogP1.13
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 61094085
2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide
CID 60962629
5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
CID 61115858
N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide
CID 60732695
3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide
CID 79773800
2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 103869280
5-amino-N,N-dibutyl-2,4-difluorobenzamide
CID 61095334
5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61108035
5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 61095461
N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 103865180
4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 61109174
5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 61093096

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide (CID 61109173) is 5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for 5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide is CC(C)CN(CC(N)=O)C(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide?
The InChIKey is PRCONIRXTUOGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-7(2)5-18(6-12(17)19)13(20)8-3-11(16)10(15)4-9(8)14/h3-4,7H,5-6,16H2,1-2H3,(H2,17,19).
What are the key properties of 5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide?
5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide has a molecular weight of 285.29 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 61109173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).