2-fluoro-N-(2-hydroxycyclohexyl)-3-methyl-5-nitrobenzamide

C14H17FN2O4 — CID 103297335

IUPAC2-fluoro-N-(2-hydroxycyclohexyl)-3-methyl-5-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)NC2CCCCC2O)c1F
InChIInChI=1S/C14H17FN2O4/c1-8-6-9(17(20)21)7-10(13(8)15)14(19)16-11-4-2-3-5-12(11)18/h6-7,11-12,18H,2-5H2,1H3,(H,16,19)
InChIKeyCEUDGKKLDAYUKR-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.08
Rot. Bonds3

About 2-fluoro-N-(2-hydroxycyclohexyl)-3-methyl-5-nitrobenzamide

2-fluoro-N-(2-hydroxycyclohexyl)-3-methyl-5-nitrobenzamide (PubChem CID 103297335) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxycyclohexyl)-3-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxycyclohexyl)-3-methyl-5-nitrobenzamide
PubChem CID103297335
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-fluoro-N-(2-hydroxycyclohexyl)-3-methyl-5-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)NC2CCCCC2O)c1F
InChIInChI=1S/C14H17FN2O4/c1-8-6-9(17(20)21)7-10(13(8)15)14(19)16-11-4-2-3-5-12(11)18/h6-7,11-12,18H,2-5H2,1H3,(H,16,19)
InChIKeyCEUDGKKLDAYUKR-UHFFFAOYSA-N
XLogP2.08
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide
CID 62361086
2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide
CID 103297073
2-fluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitrobenzamide
CID 103297683
N-(3,3-dimethylcyclopentyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297633
3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-nitrobenzamide
CID 104957240
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide
CID 104927344
2-cyclopropyl-2-[(2-fluoro-3-methyl-5-nitrobenzoyl)amino]acetic acid
CID 103296985
N-(2-cyclopropyl-2-hydroxyethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297364
2-fluoro-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitrobenzamide
CID 106027988
2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103297145
2-fluoro-3-methyl-5-nitrobenzoic acid
CID 80701808
1-(2-fluoro-3-methyl-5-nitrophenyl)ethanone
CID 131091224

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxycyclohexyl)-3-methyl-5-nitrobenzamide?
The IUPAC name of 2-fluoro-N-(2-hydroxycyclohexyl)-3-methyl-5-nitrobenzamide (CID 103297335) is 2-fluoro-N-(2-hydroxycyclohexyl)-3-methyl-5-nitrobenzamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxycyclohexyl)-3-methyl-5-nitrobenzamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxycyclohexyl)-3-methyl-5-nitrobenzamide is Cc1cc([N+](=O)[O-])cc(C(=O)NC2CCCCC2O)c1F.
What is the InChIKey of 2-fluoro-N-(2-hydroxycyclohexyl)-3-methyl-5-nitrobenzamide?
The InChIKey is CEUDGKKLDAYUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-8-6-9(17(20)21)7-10(13(8)15)14(19)16-11-4-2-3-5-12(11)18/h6-7,11-12,18H,2-5H2,1H3,(H,16,19).
What are the key properties of 2-fluoro-N-(2-hydroxycyclohexyl)-3-methyl-5-nitrobenzamide?
2-fluoro-N-(2-hydroxycyclohexyl)-3-methyl-5-nitrobenzamide has a molecular weight of 296.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxycyclohexyl)-3-methyl-5-nitrobenzamide is sourced from PubChem (CID 103297335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).