4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide

C15H19BrFNO — CID 24693418

IUPAC4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide
SMILESCCN(C(=O)c1ccc(Br)cc1F)C1CCCCC1
InChIInChI=1S/C15H19BrFNO/c1-2-18(12-6-4-3-5-7-12)15(19)13-9-8-11(16)10-14(13)17/h8-10,12H,2-7H2,1H3
InChIKeyFFHHINYSGCJLHW-UHFFFAOYSA-N
MW328.22 g/mol
LogP4.38
Rot. Bonds3

About 4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide

4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide (PubChem CID 24693418) has the molecular formula C15H19BrFNO and a molecular weight of 328.22 g/mol. Its IUPAC name is 4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide
PubChem CID24693418
Molecular FormulaC15H19BrFNO
Molecular Weight328.22 g/mol
Exact Mass327.06
IUPAC Name4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide
SMILESCCN(C(=O)c1ccc(Br)cc1F)C1CCCCC1
InChIInChI=1S/C15H19BrFNO/c1-2-18(12-6-4-3-5-7-12)15(19)13-9-8-11(16)10-14(13)17/h8-10,12H,2-7H2,1H3
InChIKeyFFHHINYSGCJLHW-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 107939910
N-cyclopentyl-N-ethyl-2,3-difluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide (CID 24693418) is 4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide is CCN(C(=O)c1ccc(Br)cc1F)C1CCCCC1.
What is the InChIKey of 4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide?
The InChIKey is FFHHINYSGCJLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-2-18(12-6-4-3-5-7-12)15(19)13-9-8-11(16)10-14(13)17/h8-10,12H,2-7H2,1H3.
What are the key properties of 4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide?
4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide has a molecular weight of 328.22 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 24693418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).