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

C14H17FN2O3 — CID 43377638

IUPAC2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide
SMILESCC1CCCC(NC(=O)c2cc([N+](=O)[O-])ccc2F)C1
InChIInChI=1S/C14H17FN2O3/c1-9-3-2-4-10(7-9)16-14(18)12-8-11(17(19)20)5-6-13(12)15/h5-6,8-10H,2-4,7H2,1H3,(H,16,18)
InChIKeyMGCMLICKBHGPKN-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.04
Rot. Bonds3

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

2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide (PubChem CID 43377638) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide
PubChem CID43377638
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide
SMILESCC1CCCC(NC(=O)c2cc([N+](=O)[O-])ccc2F)C1
InChIInChI=1S/C14H17FN2O3/c1-9-3-2-4-10(7-9)16-14(18)12-8-11(17(19)20)5-6-13(12)15/h5-6,8-10H,2-4,7H2,1H3,(H,16,18)
InChIKeyMGCMLICKBHGPKN-UHFFFAOYSA-N
XLogP3.04
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.04
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

2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide
CID 114545572
2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide
CID 43244113
2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide
CID 103097102
2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64814525
2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 41097249
2-fluoro-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41097250
N-cyclopentyl-2-fluoro-4-nitrobenzamide
CID 61037803
N-cyclobutyl-2-iodo-5-nitrobenzamide
CID 62416139
5-(methylamino)-N-(3-methylcyclohexyl)-2-nitrobenzamide
CID 62168308
N-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide
CID 60978079
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
N'-acetyl-2-fluoro-5-nitrobenzohydrazide
CID 61216707

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide?
The IUPAC name of 2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide (CID 43377638) is 2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide.
What is the SMILES notation for 2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide?
The canonical SMILES for 2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide is CC1CCCC(NC(=O)c2cc([N+](=O)[O-])ccc2F)C1.
What is the InChIKey of 2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide?
The InChIKey is MGCMLICKBHGPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-9-3-2-4-10(7-9)16-14(18)12-8-11(17(19)20)5-6-13(12)15/h5-6,8-10H,2-4,7H2,1H3,(H,16,18).
What are the key properties of 2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide?
2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide has a molecular weight of 280.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide is sourced from PubChem (CID 43377638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).