5-fluoro-2-nitro-N-pentyl-N-propan-2-ylbenzamide

C15H21FN2O3 — CID 61052173

IUPAC5-fluoro-2-nitro-N-pentyl-N-propan-2-ylbenzamide
SMILESCCCCCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C15H21FN2O3/c1-4-5-6-9-17(11(2)3)15(19)13-10-12(16)7-8-14(13)18(20)21/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyLRGHBBDZCWPBAC-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.77
Rot. Bonds7

About 5-fluoro-2-nitro-N-pentyl-N-propan-2-ylbenzamide

5-fluoro-2-nitro-N-pentyl-N-propan-2-ylbenzamide (PubChem CID 61052173) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 5-fluoro-2-nitro-N-pentyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-fluoro-2-nitro-N-pentyl-N-propan-2-ylbenzamide
PubChem CID61052173
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name5-fluoro-2-nitro-N-pentyl-N-propan-2-ylbenzamide
SMILESCCCCCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C15H21FN2O3/c1-4-5-6-9-17(11(2)3)15(19)13-10-12(16)7-8-14(13)18(20)21/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyLRGHBBDZCWPBAC-UHFFFAOYSA-N
XLogP3.77
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-propan-2-yl-N-propylbenzamide
CID 60876599
N-butan-2-yl-N-butyl-5-fluoro-2-nitrobenzamide
CID 61051050
N-(2-bromoethyl)-5-fluoro-2-nitro-N-propan-2-ylbenzamide
CID 80665059
5-fluoro-N-hexyl-2-nitrobenzamide
CID 61041520
N-(1-bromopropan-2-yl)-5-fluoro-N-methyl-2-nitrobenzamide
CID 104556228
2,5-difluoro-4-nitro-N-propan-2-yl-N-propylbenzamide
CID 104699252
2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide
CID 107026404
N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
CID 43136631
5-amino-N-ethyl-2-nitro-N-propan-2-ylbenzamide
CID 55041640
N-(3-bromopropyl)-2-nitro-N-propan-2-ylbenzamide
CID 80662381
3-[ethyl-(5-fluoro-2-nitrobenzoyl)amino]propanoic acid
CID 61006784
2-amino-5-fluoro-N-(2-hydroxyethyl)-3-nitro-N-propan-2-ylbenzamide
CID 103829178

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-nitro-N-pentyl-N-propan-2-ylbenzamide?
The IUPAC name of 5-fluoro-2-nitro-N-pentyl-N-propan-2-ylbenzamide (CID 61052173) is 5-fluoro-2-nitro-N-pentyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-fluoro-2-nitro-N-pentyl-N-propan-2-ylbenzamide?
The canonical SMILES for 5-fluoro-2-nitro-N-pentyl-N-propan-2-ylbenzamide is CCCCCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C(C)C.
What is the InChIKey of 5-fluoro-2-nitro-N-pentyl-N-propan-2-ylbenzamide?
The InChIKey is LRGHBBDZCWPBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-4-5-6-9-17(11(2)3)15(19)13-10-12(16)7-8-14(13)18(20)21/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of 5-fluoro-2-nitro-N-pentyl-N-propan-2-ylbenzamide?
5-fluoro-2-nitro-N-pentyl-N-propan-2-ylbenzamide has a molecular weight of 296.34 g/mol, XLogP of 3.77, 7 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-pentyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 61052173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).