N-cyclohexyl-4-fluoro-3-nitro-N-propan-2-ylbenzamide

C16H21FN2O3 — CID 58376199

IUPACN-cyclohexyl-4-fluoro-3-nitro-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1ccc(F)c([N+](=O)[O-])c1)C1CCCCC1
InChIInChI=1S/C16H21FN2O3/c1-11(2)18(13-6-4-3-5-7-13)16(20)12-8-9-14(17)15(10-12)19(21)22/h8-11,13H,3-7H2,1-2H3
InChIKeyJEGWBOOAKPALBX-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.92
Rot. Bonds4

About N-cyclohexyl-4-fluoro-3-nitro-N-propan-2-ylbenzamide

N-cyclohexyl-4-fluoro-3-nitro-N-propan-2-ylbenzamide (PubChem CID 58376199) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is N-cyclohexyl-4-fluoro-3-nitro-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-fluoro-3-nitro-N-propan-2-ylbenzamide
PubChem CID58376199
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC NameN-cyclohexyl-4-fluoro-3-nitro-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1ccc(F)c([N+](=O)[O-])c1)C1CCCCC1
InChIInChI=1S/C16H21FN2O3/c1-11(2)18(13-6-4-3-5-7-13)16(20)12-8-9-14(17)15(10-12)19(21)22/h8-11,13H,3-7H2,1-2H3
InChIKeyJEGWBOOAKPALBX-UHFFFAOYSA-N
XLogP3.92
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.92
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

N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 102861526
cycloheptyl 4-fluoro-3-nitrobenzoate
CID 60659718
cyclohexyl 4-fluoro-3-nitrobenzoate
CID 60659804
N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide
CID 62680746
2-[cyclohexyl(methyl)amino]-1-(4-fluoro-3-nitrophenyl)ethanol
CID 82216795
N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-nitrobenzamide
CID 63693985
4-fluoro-N-methyl-N-(3-methylbutyl)-3-nitrobenzamide
CID 55025109
[3-(dimethylamino)pyrrolidin-1-yl]-(4-fluoro-3-nitrophenyl)methanone
CID 63165483
azocan-1-yl-(4-fluoro-3-nitrophenyl)methanone
CID 43215748
N-cyclopentyl-N-cyclopropyl-4-methylsulfonyl-3-nitrobenzamide
CID 71897771
2-[cyclopropyl-(3-hydroxy-4-nitrobenzoyl)amino]propanoic acid
CID 122067377
2-[cyclopropyl-(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]propanoic acid
CID 119202612

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-fluoro-3-nitro-N-propan-2-ylbenzamide?
The IUPAC name of N-cyclohexyl-4-fluoro-3-nitro-N-propan-2-ylbenzamide (CID 58376199) is N-cyclohexyl-4-fluoro-3-nitro-N-propan-2-ylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-fluoro-3-nitro-N-propan-2-ylbenzamide?
The canonical SMILES for N-cyclohexyl-4-fluoro-3-nitro-N-propan-2-ylbenzamide is CC(C)N(C(=O)c1ccc(F)c([N+](=O)[O-])c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-fluoro-3-nitro-N-propan-2-ylbenzamide?
The InChIKey is JEGWBOOAKPALBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-11(2)18(13-6-4-3-5-7-13)16(20)12-8-9-14(17)15(10-12)19(21)22/h8-11,13H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-4-fluoro-3-nitro-N-propan-2-ylbenzamide?
N-cyclohexyl-4-fluoro-3-nitro-N-propan-2-ylbenzamide has a molecular weight of 308.35 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-fluoro-3-nitro-N-propan-2-ylbenzamide is sourced from PubChem (CID 58376199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).