4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide

C15H19BrFNO — CID 63997773

IUPAC4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide
SMILESCC1CCC(NC(=O)c2ccc(Br)c(F)c2)C(C)C1
InChIInChI=1S/C15H19BrFNO/c1-9-3-6-14(10(2)7-9)18-15(19)11-4-5-12(16)13(17)8-11/h4-5,8-10,14H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyPYZQRZGNQZLMNW-UHFFFAOYSA-N
MW328.23 g/mol
LogP4.14
Rot. Bonds2

About 4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide

4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide (PubChem CID 63997773) has the molecular formula C15H19BrFNO and a molecular weight of 328.23 g/mol. Its IUPAC name is 4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide
PubChem CID63997773
Molecular FormulaC15H19BrFNO
Molecular Weight328.23 g/mol
Exact Mass327.06
IUPAC Name4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide
SMILESCC1CCC(NC(=O)c2ccc(Br)c(F)c2)C(C)C1
InChIInChI=1S/C15H19BrFNO/c1-9-3-6-14(10(2)7-9)18-15(19)11-4-5-12(16)13(17)8-11/h4-5,8-10,14H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyPYZQRZGNQZLMNW-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide
CID 64920634
5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide
CID 63996958
3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide
CID 63994254
4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114695015
5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide
CID 63999980
N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998982
4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110825
4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide
CID 63999184
N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 113268698
3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide
CID 114020017
4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386400
4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide
CID 96519279

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide (CID 63997773) is 4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide is CC1CCC(NC(=O)c2ccc(Br)c(F)c2)C(C)C1.
What is the InChIKey of 4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide?
The InChIKey is PYZQRZGNQZLMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-9-3-6-14(10(2)7-9)18-15(19)11-4-5-12(16)13(17)8-11/h4-5,8-10,14H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide?
4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide has a molecular weight of 328.23 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide is sourced from PubChem (CID 63997773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).