5-fluoro-2-nitro-N-propan-2-yl-N-propylbenzamide

C13H17FN2O3 — CID 60876599

IUPAC5-fluoro-2-nitro-N-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C13H17FN2O3/c1-4-7-15(9(2)3)13(17)11-8-10(14)5-6-12(11)16(18)19/h5-6,8-9H,4,7H2,1-3H3
InChIKeyKBXNAZPUWYZNLD-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.99
Rot. Bonds5

About 5-fluoro-2-nitro-N-propan-2-yl-N-propylbenzamide

5-fluoro-2-nitro-N-propan-2-yl-N-propylbenzamide (PubChem CID 60876599) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 5-fluoro-2-nitro-N-propan-2-yl-N-propylbenzamide.

Molecular Properties

Compound Name5-fluoro-2-nitro-N-propan-2-yl-N-propylbenzamide
PubChem CID60876599
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name5-fluoro-2-nitro-N-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C13H17FN2O3/c1-4-7-15(9(2)3)13(17)11-8-10(14)5-6-12(11)16(18)19/h5-6,8-9H,4,7H2,1-3H3
InChIKeyKBXNAZPUWYZNLD-UHFFFAOYSA-N
XLogP2.99
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-fluoro-2-nitro-N-pentyl-N-propan-2-ylbenzamide
CID 61052173
N-(2-bromoethyl)-5-fluoro-2-nitro-N-propan-2-ylbenzamide
CID 80665059
N-butan-2-yl-N-butyl-5-fluoro-2-nitrobenzamide
CID 61051050
2,5-difluoro-4-nitro-N-propan-2-yl-N-propylbenzamide
CID 104699252
N-(1-bromopropan-2-yl)-5-fluoro-N-methyl-2-nitrobenzamide
CID 104556228
2-amino-6-fluoro-3-nitro-N-propan-2-yl-N-propylbenzamide
CID 107122932
5-amino-N-ethyl-2-nitro-N-propan-2-ylbenzamide
CID 55041640
2-amino-5-fluoro-N-(2-hydroxyethyl)-3-nitro-N-propan-2-ylbenzamide
CID 103829178
3-[ethyl-(5-fluoro-2-nitrobenzoyl)amino]propanoic acid
CID 61006784
N-(3-amino-4-methylpentyl)-5-fluoro-N-methyl-2-nitrobenzamide;hydrochloride
CID 119659936
5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61041542
N-(2-cyanoethyl)-5-fluoro-N-(2-methylpropyl)-2-nitrobenzamide
CID 61050993

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-nitro-N-propan-2-yl-N-propylbenzamide?
The IUPAC name of 5-fluoro-2-nitro-N-propan-2-yl-N-propylbenzamide (CID 60876599) is 5-fluoro-2-nitro-N-propan-2-yl-N-propylbenzamide.
What is the SMILES notation for 5-fluoro-2-nitro-N-propan-2-yl-N-propylbenzamide?
The canonical SMILES for 5-fluoro-2-nitro-N-propan-2-yl-N-propylbenzamide is CCCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C(C)C.
What is the InChIKey of 5-fluoro-2-nitro-N-propan-2-yl-N-propylbenzamide?
The InChIKey is KBXNAZPUWYZNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-4-7-15(9(2)3)13(17)11-8-10(14)5-6-12(11)16(18)19/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 5-fluoro-2-nitro-N-propan-2-yl-N-propylbenzamide?
5-fluoro-2-nitro-N-propan-2-yl-N-propylbenzamide has a molecular weight of 268.29 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-nitro-N-propan-2-yl-N-propylbenzamide is sourced from PubChem (CID 60876599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).