5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide

C15H19ClFNO — CID 62405432

IUPAC5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1F)C1CCCCC1
InChIInChI=1S/C15H19ClFNO/c1-10(11-5-3-2-4-6-11)18-15(19)13-9-12(16)7-8-14(13)17/h7-11H,2-6H2,1H3,(H,18,19)
InChIKeyDKAPETNTYWDWAY-UHFFFAOYSA-N
MW283.77 g/mol
LogP4.18
Rot. Bonds3

About 5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide

5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide (PubChem CID 62405432) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide
PubChem CID62405432
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1F)C1CCCCC1
InChIInChI=1S/C15H19ClFNO/c1-10(11-5-3-2-4-6-11)18-15(19)13-9-12(16)7-8-14(13)17/h7-11H,2-6H2,1H3,(H,18,19)
InChIKeyDKAPETNTYWDWAY-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide (CID 62405432) is 5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide is CC(NC(=O)c1cc(Cl)ccc1F)C1CCCCC1.
What is the InChIKey of 5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide?
The InChIKey is DKAPETNTYWDWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-10(11-5-3-2-4-6-11)18-15(19)13-9-12(16)7-8-14(13)17/h7-11H,2-6H2,1H3,(H,18,19).
What are the key properties of 5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide?
5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide has a molecular weight of 283.77 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide is sourced from PubChem (CID 62405432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).