4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide

C16H23FN2O2 — CID 65117358

IUPAC4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide
SMILESCCC1CCC(O)(CNC(=O)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C16H23FN2O2/c1-2-11-5-7-16(21,8-6-11)10-19-15(20)12-3-4-14(18)13(17)9-12/h3-4,9,11,21H,2,5-8,10,18H2,1H3,(H,19,20)
InChIKeyLCUOBMMBUQOQCZ-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.47
Rot. Bonds4

About 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide

4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide (PubChem CID 65117358) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide
PubChem CID65117358
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide
SMILESCCC1CCC(O)(CNC(=O)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C16H23FN2O2/c1-2-11-5-7-16(21,8-6-11)10-19-15(20)12-3-4-14(18)13(17)9-12/h3-4,9,11,21H,2,5-8,10,18H2,1H3,(H,19,20)
InChIKeyLCUOBMMBUQOQCZ-UHFFFAOYSA-N
XLogP2.47
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluoro-4-methylbenzamide
CID 65123648
4-amino-3-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65118030
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124189
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124263
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide
CID 103209091
3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119123
4-amino-3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099036
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124121
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 107677045
4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide
CID 65123638
4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 114113741
4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357758

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide?
The IUPAC name of 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide (CID 65117358) is 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide is CCC1CCC(O)(CNC(=O)c2ccc(N)c(F)c2)CC1.
What is the InChIKey of 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide?
The InChIKey is LCUOBMMBUQOQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-2-11-5-7-16(21,8-6-11)10-19-15(20)12-3-4-14(18)13(17)9-12/h3-4,9,11,21H,2,5-8,10,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide?
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide has a molecular weight of 294.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 65117358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).