4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide

C14H18FNO — CID 2098476

IUPAC4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c1-10-4-2-3-5-13(10)16-14(17)11-6-8-12(15)9-7-11/h6-10,13H,2-5H2,1H3,(H,16,17)/t10-,13+/m0/s1
InChIKeyKEMSJAJCSIEMTG-GXFFZTMASA-N
MW235.30 g/mol
LogP3.13
Rot. Bonds2

About 4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide

4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide (PubChem CID 2098476) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
PubChem CID2098476
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c1-10-4-2-3-5-13(10)16-14(17)11-6-8-12(15)9-7-11/h6-10,13H,2-5H2,1H3,(H,16,17)/t10-,13+/m0/s1
InChIKeyKEMSJAJCSIEMTG-GXFFZTMASA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
4-fluoro-N-[2-[(4-fluorobenzoyl)amino]cyclohexyl]benzamide
CID 2912791
N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide
CID 8624319
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 1234531
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide
CID 15997384
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide
CID 114020017
4-hydrazinyl-N-(2-methylcyclopentyl)benzamide
CID 63279138
N-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide
CID 24537639
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 2627211

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide (CID 2098476) is 4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide is C[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide?
The InChIKey is KEMSJAJCSIEMTG-GXFFZTMASA-N. The full InChI is InChI=1S/C14H18FNO/c1-10-4-2-3-5-13(10)16-14(17)11-6-8-12(15)9-7-11/h6-10,13H,2-5H2,1H3,(H,16,17)/t10-,13+/m0/s1.
What are the key properties of 4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide?
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide has a molecular weight of 235.30 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide is sourced from PubChem (CID 2098476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).