4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide

C15H19BrFNO — CID 64722332

IUPAC4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide
SMILESCC1CC(C)CC(NC(=O)c2ccc(Br)cc2F)C1
InChIInChI=1S/C15H19BrFNO/c1-9-5-10(2)7-12(6-9)18-15(19)13-4-3-11(16)8-14(13)17/h3-4,8-10,12H,5-7H2,1-2H3,(H,18,19)
InChIKeyDWYFKDCCRNSSOQ-UHFFFAOYSA-N
MW328.23 g/mol
LogP4.14
Rot. Bonds2

About 4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide

4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide (PubChem CID 64722332) has the molecular formula C15H19BrFNO and a molecular weight of 328.23 g/mol. Its IUPAC name is 4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide
PubChem CID64722332
Molecular FormulaC15H19BrFNO
Molecular Weight328.23 g/mol
Exact Mass327.06
IUPAC Name4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide
SMILESCC1CC(C)CC(NC(=O)c2ccc(Br)cc2F)C1
InChIInChI=1S/C15H19BrFNO/c1-9-5-10(2)7-12(6-9)18-15(19)13-4-3-11(16)8-14(13)17/h3-4,8-10,12H,5-7H2,1-2H3,(H,18,19)
InChIKeyDWYFKDCCRNSSOQ-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-(3,5-dimethylcyclohexyl)-2-methoxybenzamide
CID 115369287
N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide
CID 64724976
4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide
CID 24694578
(4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone
CID 114905837
N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide
CID 55062535
4-bromo-2-fluoro-N-(1-oxothian-4-yl)benzamide
CID 113347766
4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide
CID 80713377
5-bromo-2-methyl-N-(3-methylcyclopentyl)benzamide
CID 114546768
2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide
CID 64734584
4-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210007
2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide
CID 107939661
N-(3-aminocyclobutyl)-4-bromo-2-methylbenzamide
CID 43630056

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide (CID 64722332) is 4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide is CC1CC(C)CC(NC(=O)c2ccc(Br)cc2F)C1.
What is the InChIKey of 4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide?
The InChIKey is DWYFKDCCRNSSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-9-5-10(2)7-12(6-9)18-15(19)13-4-3-11(16)8-14(13)17/h3-4,8-10,12H,5-7H2,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide?
4-bromo-N-(3,5-dimethylcyclohexyl)-2-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-(3,5-dimethylcyclohexyl)-2-fluorobenzamide is sourced from PubChem (CID 64722332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).