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

C12H15F2N3O2 — CID 107120558

IUPAC3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide
SMILESCCNC(=O)C(C)NC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C12H15F2N3O2/c1-3-16-11(18)6(2)17-12(19)8-4-7(13)5-9(15)10(8)14/h4-6H,3,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyOMAYHHNJRNXNFQ-UHFFFAOYSA-N
MW271.27 g/mol
LogP0.80
Rot. Bonds4

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

3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide (PubChem CID 107120558) has the molecular formula C12H15F2N3O2 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide
PubChem CID107120558
Molecular FormulaC12H15F2N3O2
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide
SMILESCCNC(=O)C(C)NC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C12H15F2N3O2/c1-3-16-11(18)6(2)17-12(19)8-4-7(13)5-9(15)10(8)14/h4-6H,3,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyOMAYHHNJRNXNFQ-UHFFFAOYSA-N
XLogP0.80
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(3-amino-2,5-difluorobenzoyl)amino]propanoate
CID 107120864
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide
CID 107121548
3-amino-2,5-difluoro-N-hexan-3-ylbenzamide
CID 107120973
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
CID 102705069
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide
CID 113304525
3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 107121140
2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 47112870
3-amino-2,5-difluoro-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 107121447
3-amino-5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 107872241
3-amino-N-butyl-2,5-difluorobenzamide
CID 107120407
3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide
CID 114145958
4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 24683116

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide?
The IUPAC name of 3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide (CID 107120558) is 3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide.
What is the SMILES notation for 3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide?
The canonical SMILES for 3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide is CCNC(=O)C(C)NC(=O)c1cc(F)cc(N)c1F.
What is the InChIKey of 3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide?
The InChIKey is OMAYHHNJRNXNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O2/c1-3-16-11(18)6(2)17-12(19)8-4-7(13)5-9(15)10(8)14/h4-6H,3,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide?
3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide has a molecular weight of 271.27 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide is sourced from PubChem (CID 107120558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).