3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide

C13H17F2N3O2 — CID 107121548

IUPAC3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C13H17F2N3O2/c1-4-18(3)13(20)7(2)17-12(19)9-5-8(14)6-10(16)11(9)15/h5-7H,4,16H2,1-3H3,(H,17,19)
InChIKeyHOWXVLNXJNBKIQ-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.14
Rot. Bonds4

About 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide

3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide (PubChem CID 107121548) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide
PubChem CID107121548
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C13H17F2N3O2/c1-4-18(3)13(20)7(2)17-12(19)9-5-8(14)6-10(16)11(9)15/h5-7H,4,16H2,1-3H3,(H,17,19)
InChIKeyHOWXVLNXJNBKIQ-UHFFFAOYSA-N
XLogP1.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.14
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

3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide
CID 107120558
methyl 2-[(3-amino-2,5-difluorobenzoyl)amino]propanoate
CID 107120864
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide
CID 103106395
3-amino-2,5-difluoro-N-hexan-3-ylbenzamide
CID 107120973
3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 107121140
5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 107186105
3-amino-2,5-difluoro-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 107121447
3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 103106417
4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide
CID 103110775
5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide
CID 103106404
3-amino-N-butyl-2,5-difluorobenzamide
CID 107120407
3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide
CID 107121456

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide?
The IUPAC name of 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide (CID 107121548) is 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide.
What is the SMILES notation for 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide?
The canonical SMILES for 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide is CCN(C)C(=O)C(C)NC(=O)c1cc(F)cc(N)c1F.
What is the InChIKey of 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide?
The InChIKey is HOWXVLNXJNBKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-4-18(3)13(20)7(2)17-12(19)9-5-8(14)6-10(16)11(9)15/h5-7H,4,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide?
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide has a molecular weight of 285.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide is sourced from PubChem (CID 107121548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).