3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide

C14H14Br2F3NO — CID 107980263

IUPAC3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H14Br2F3NO/c15-10-5-8(6-11(16)7-10)13(21)20-12-3-1-9(2-4-12)14(17,18)19/h5-7,9,12H,1-4H2,(H,20,21)
InChIKeyIXDSCOIUSNVZFX-UHFFFAOYSA-N
MW429.07 g/mol
LogP5.06
Rot. Bonds2

About 3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide

3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 107980263) has the molecular formula C14H14Br2F3NO and a molecular weight of 429.07 g/mol. Its IUPAC name is 3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID107980263
Molecular FormulaC14H14Br2F3NO
Molecular Weight429.07 g/mol
Exact Mass426.94
IUPAC Name3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H14Br2F3NO/c15-10-5-8(6-11(16)7-10)13(21)20-12-3-1-9(2-4-12)14(17,18)19/h5-7,9,12H,1-4H2,(H,20,21)
InChIKeyIXDSCOIUSNVZFX-UHFFFAOYSA-N
XLogP5.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.07
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 103706617
3-bromo-5-chloro-N-cyclopropylbenzamide
CID 110406468
3-bromo-N-cyclopropyl-5-nitrobenzamide
CID 26369865
4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride
CID 119701795
cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320556
5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 62001027
methyl 3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]benzoate
CID 47048188
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480
3-amino-5-bromo-N-cyclopentylbenzamide
CID 75537164
2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 61213533
N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide
CID 104850911
1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67413322

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide (CID 107980263) is 3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide is O=C(NC1CCC(C(F)(F)F)CC1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is IXDSCOIUSNVZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2F3NO/c15-10-5-8(6-11(16)7-10)13(21)20-12-3-1-9(2-4-12)14(17,18)19/h5-7,9,12H,1-4H2,(H,20,21).
What are the key properties of 3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 429.07 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 107980263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).