2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide

C15H19FN2O3 — CID 103297073

IUPAC2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)NC2CCC(C)CC2)c1F
InChIInChI=1S/C15H19FN2O3/c1-9-3-5-11(6-4-9)17-15(19)13-8-12(18(20)21)7-10(2)14(13)16/h7-9,11H,3-6H2,1-2H3,(H,17,19)
InChIKeySQCJZQKHLSDAAI-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.35
Rot. Bonds3

About 2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide

2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide (PubChem CID 103297073) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide
PubChem CID103297073
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)NC2CCC(C)CC2)c1F
InChIInChI=1S/C15H19FN2O3/c1-9-3-5-11(6-4-9)17-15(19)13-8-12(18(20)21)7-10(2)14(13)16/h7-9,11H,3-6H2,1-2H3,(H,17,19)
InChIKeySQCJZQKHLSDAAI-UHFFFAOYSA-N
XLogP3.35
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
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-(3,3-dimethylcyclopentyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297633
2-fluoro-N-(2-hydroxycyclohexyl)-3-methyl-5-nitrobenzamide
CID 103297335
N-[3-(cyclopropylamino)propyl]-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297688
2-fluoro-3-methyl-N-[(3-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 107412478
N-cyclopropyl-2-fluoro-5-nitro-3-sulfamoylbenzamide
CID 65374989
2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide
CID 114545572
2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide
CID 4611426
2-cyclopropyl-2-[(2-fluoro-3-methyl-5-nitrobenzoyl)amino]acetic acid
CID 103296985
2-fluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitrobenzamide
CID 103297683
N-(2-aminoethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297273
N-(2-cyclopropyl-2-hydroxyethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297364
2-fluoro-3-methyl-5-nitrobenzoic acid
CID 80701808

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide?
The IUPAC name of 2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide (CID 103297073) is 2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide is Cc1cc([N+](=O)[O-])cc(C(=O)NC2CCC(C)CC2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide?
The InChIKey is SQCJZQKHLSDAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9-3-5-11(6-4-9)17-15(19)13-8-12(18(20)21)7-10(2)14(13)16/h7-9,11H,3-6H2,1-2H3,(H,17,19).
What are the key properties of 2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide?
2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide has a molecular weight of 294.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide is sourced from PubChem (CID 103297073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).