4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide

C13H17F2N3O2 — CID 63185587

IUPAC4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)C(C)NC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C13H17F2N3O2/c1-3-4-17-12(19)7(2)18-13(20)8-5-9(14)11(16)10(15)6-8/h5-7H,3-4,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZDDKVNPARZVWIO-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.19
Rot. Bonds5

About 4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide

4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 63185587) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
PubChem CID63185587
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)C(C)NC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C13H17F2N3O2/c1-3-4-17-12(19)7(2)18-13(20)8-5-9(14)11(16)10(15)6-8/h5-7H,3-4,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZDDKVNPARZVWIO-UHFFFAOYSA-N
XLogP1.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-methyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 41089115
2-amino-3-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 55100204
3-fluoro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992916
4-amino-3,5-difluoro-N-pentan-3-ylbenzamide
CID 63187133
2,6-dichloro-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 60659620
3,5-dinitro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 14440643
2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733040
4-bromo-3,5-dimethoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 17412288
3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61476385
ethyl 2-[(3,4,5-trifluorobenzoyl)amino]propanoate
CID 63186715
3-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992878
3-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51196385

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 63185587) is 4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)C(C)NC(=O)c1cc(F)c(N)c(F)c1.
What is the InChIKey of 4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is ZDDKVNPARZVWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-3-4-17-12(19)7(2)18-13(20)8-5-9(14)11(16)10(15)6-8/h5-7H,3-4,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 285.29 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 63185587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).