4-bromo-N-cyclohexyl-3,5-difluorobenzamide

C13H14BrF2NO — CID 172646662

IUPAC4-bromo-N-cyclohexyl-3,5-difluorobenzamide
SMILESO=C(NC1CCCCC1)c1cc(F)c(Br)c(F)c1
InChIInChI=1S/C13H14BrF2NO/c14-12-10(15)6-8(7-11(12)16)13(18)17-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,17,18)
InChIKeyUTCDJCAUVONGLA-UHFFFAOYSA-N
MW318.16 g/mol
LogP3.79
Rot. Bonds2

About 4-bromo-N-cyclohexyl-3,5-difluorobenzamide

4-bromo-N-cyclohexyl-3,5-difluorobenzamide (PubChem CID 172646662) has the molecular formula C13H14BrF2NO and a molecular weight of 318.16 g/mol. Its IUPAC name is 4-bromo-N-cyclohexyl-3,5-difluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-cyclohexyl-3,5-difluorobenzamide
PubChem CID172646662
Molecular FormulaC13H14BrF2NO
Molecular Weight318.16 g/mol
Exact Mass317.02
IUPAC Name4-bromo-N-cyclohexyl-3,5-difluorobenzamide
SMILESO=C(NC1CCCCC1)c1cc(F)c(Br)c(F)c1
InChIInChI=1S/C13H14BrF2NO/c14-12-10(15)6-8(7-11(12)16)13(18)17-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,17,18)
InChIKeyUTCDJCAUVONGLA-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187586
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide
CID 60861850
N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 57445697
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872
3,5-diamino-N-cyclooctylbenzamide
CID 61092511
3-amino-5-bromo-N-cyclopentylbenzamide
CID 75537164
4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide
CID 65389059
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
N-cyclohexyl-2-fluoropyridine-4-carboxamide
CID 59355741
5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 62815067

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclohexyl-3,5-difluorobenzamide?
The IUPAC name of 4-bromo-N-cyclohexyl-3,5-difluorobenzamide (CID 172646662) is 4-bromo-N-cyclohexyl-3,5-difluorobenzamide.
What is the SMILES notation for 4-bromo-N-cyclohexyl-3,5-difluorobenzamide?
The canonical SMILES for 4-bromo-N-cyclohexyl-3,5-difluorobenzamide is O=C(NC1CCCCC1)c1cc(F)c(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-cyclohexyl-3,5-difluorobenzamide?
The InChIKey is UTCDJCAUVONGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF2NO/c14-12-10(15)6-8(7-11(12)16)13(18)17-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,17,18).
What are the key properties of 4-bromo-N-cyclohexyl-3,5-difluorobenzamide?
4-bromo-N-cyclohexyl-3,5-difluorobenzamide has a molecular weight of 318.16 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclohexyl-3,5-difluorobenzamide is sourced from PubChem (CID 172646662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).