5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide

C13H16FN3O4 — CID 61041542

IUPAC5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)C(C)NC(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H16FN3O4/c1-3-6-15-12(18)8(2)16-13(19)10-7-9(14)4-5-11(10)17(20)21/h4-5,7-8H,3,6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyDNJBZBIZSHAOMC-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.38
Rot. Bonds6

About 5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide

5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 61041542) has the molecular formula C13H16FN3O4 and a molecular weight of 297.29 g/mol. Its IUPAC name is 5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
PubChem CID61041542
Molecular FormulaC13H16FN3O4
Molecular Weight297.29 g/mol
Exact Mass297.11
IUPAC Name5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)C(C)NC(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H16FN3O4/c1-3-6-15-12(18)8(2)16-13(19)10-7-9(14)4-5-11(10)17(20)21/h4-5,7-8H,3,6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyDNJBZBIZSHAOMC-UHFFFAOYSA-N
XLogP1.38
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733040
N-(1-chloropropan-2-yl)-5-fluoro-2-nitrobenzamide
CID 114299406
2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51206303
N-[(2S)-1-aminopropan-2-yl]-5-fluoro-2-nitrobenzamide
CID 120505682
5-fluoro-N-hexyl-2-nitrobenzamide
CID 61041520
N-(1-cyanopropyl)-5-fluoro-2-nitrobenzamide
CID 61119679
N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(methylamino)-2-nitrobenzamide
CID 62176241
N-(1,3-dihydroxypropan-2-yl)-5-fluoro-2-nitrobenzamide
CID 65315617
5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742455
5-fluoro-N-[2-(methylamino)ethyl]-2-nitrobenzamide;hydrochloride
CID 119502800
N-(2-ethoxyethyl)-5-fluoro-2-nitrobenzamide
CID 60877547
N-(2-aminobutyl)-5-fluoro-2-nitrobenzamide
CID 63733638

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 61041542) is 5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)C(C)NC(=O)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is DNJBZBIZSHAOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O4/c1-3-6-15-12(18)8(2)16-13(19)10-7-9(14)4-5-11(10)17(20)21/h4-5,7-8H,3,6H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 297.29 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 61041542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).