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

C15H19BrFNO — CID 64741558

IUPAC2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide
SMILESCC1CCC(NC(=O)c2ccc(F)cc2Br)CC1C
InChIInChI=1S/C15H19BrFNO/c1-9-3-5-12(7-10(9)2)18-15(19)13-6-4-11(17)8-14(13)16/h4,6,8-10,12H,3,5,7H2,1-2H3,(H,18,19)
InChIKeyYOOMNJFNVWWDKI-UHFFFAOYSA-N
MW328.23 g/mol
LogP4.14
Rot. Bonds2

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

2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide (PubChem CID 64741558) has the molecular formula C15H19BrFNO and a molecular weight of 328.23 g/mol. Its IUPAC name is 2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide
PubChem CID64741558
Molecular FormulaC15H19BrFNO
Molecular Weight328.23 g/mol
Exact Mass327.06
IUPAC Name2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide
SMILESCC1CCC(NC(=O)c2ccc(F)cc2Br)CC1C
InChIInChI=1S/C15H19BrFNO/c1-9-3-5-12(7-10(9)2)18-15(19)13-6-4-11(17)8-14(13)16/h4,6,8-10,12H,3,5,7H2,1-2H3,(H,18,19)
InChIKeyYOOMNJFNVWWDKI-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

2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747
5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide
CID 64739491
2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 51219889
2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide
CID 104578735
2-bromo-4-[(3,4-dimethylcyclohexyl)amino]benzoic acid
CID 107282136
2-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-fluorobenzamide
CID 64922806
2-bromo-N-[3-(cyclopropylamino)propyl]-4-fluorobenzamide
CID 43596377
N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide
CID 105381302
2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
CID 113271719
N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide
CID 107031002
2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide
CID 106444049

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide (CID 64741558) is 2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide is CC1CCC(NC(=O)c2ccc(F)cc2Br)CC1C.
What is the InChIKey of 2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide?
The InChIKey is YOOMNJFNVWWDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-9-3-5-12(7-10(9)2)18-15(19)13-6-4-11(17)8-14(13)16/h4,6,8-10,12H,3,5,7H2,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide?
2-bromo-N-(3,4-dimethylcyclohexyl)-4-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 2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide is sourced from PubChem (CID 64741558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).