4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide

C16H21ClFNO2 — CID 65123638

IUPAC4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide
SMILESCCC1CCC(O)(CNC(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C16H21ClFNO2/c1-2-11-5-7-16(21,8-6-11)10-19-15(20)13-4-3-12(17)9-14(13)18/h3-4,9,11,21H,2,5-8,10H2,1H3,(H,19,20)
InChIKeyBMHUSFXADABXMD-UHFFFAOYSA-N
MW313.80 g/mol
LogP3.54
Rot. Bonds4

About 4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide

4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide (PubChem CID 65123638) has the molecular formula C16H21ClFNO2 and a molecular weight of 313.80 g/mol. Its IUPAC name is 4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide
PubChem CID65123638
Molecular FormulaC16H21ClFNO2
Molecular Weight313.80 g/mol
Exact Mass313.12
IUPAC Name4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide
SMILESCCC1CCC(O)(CNC(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C16H21ClFNO2/c1-2-11-5-7-16(21,8-6-11)10-19-15(20)13-4-3-12(17)9-14(13)18/h3-4,9,11,21H,2,5-8,10H2,1H3,(H,19,20)
InChIKeyBMHUSFXADABXMD-UHFFFAOYSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 107677045
4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119892
4-bromo-2-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65123585
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124121
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 114344926
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 107097791
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluoro-4-methylbenzamide
CID 65123648
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide
CID 65117358
3-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide
CID 107952528
5-chloro-2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119441
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124263
4-chloro-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 65124177

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide (CID 65123638) is 4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide is CCC1CCC(O)(CNC(=O)c2ccc(Cl)cc2F)CC1.
What is the InChIKey of 4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide?
The InChIKey is BMHUSFXADABXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO2/c1-2-11-5-7-16(21,8-6-11)10-19-15(20)13-4-3-12(17)9-14(13)18/h3-4,9,11,21H,2,5-8,10H2,1H3,(H,19,20).
What are the key properties of 4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide?
4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide has a molecular weight of 313.80 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 65123638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).