4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide

C14H18BrFN2O — CID 79110825

IUPAC4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
SMILESCNC1CCC(NC(=O)c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C14H18BrFN2O/c1-17-10-3-5-11(6-4-10)18-14(19)9-2-7-12(15)13(16)8-9/h2,7-8,10-11,17H,3-6H2,1H3,(H,18,19)
InChIKeyWESGMCZTBFRWTO-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.85
Rot. Bonds3

About 4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide

4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide (PubChem CID 79110825) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
PubChem CID79110825
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
SMILESCNC1CCC(NC(=O)c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C14H18BrFN2O/c1-17-10-3-5-11(6-4-10)18-14(19)9-2-7-12(15)13(16)8-9/h2,7-8,10-11,17H,3-6H2,1H3,(H,18,19)
InChIKeyWESGMCZTBFRWTO-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386400
N-(azepan-4-yl)-4-bromo-3-fluorobenzamide
CID 105059141
4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 47422175
4-bromo-3-fluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65472784
4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide
CID 64920634
4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 103951495
4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114695015
4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide
CID 82765218
4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide
CID 63997773
4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide
CID 115769071
3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 103706617

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide (CID 79110825) is 4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide is CNC1CCC(NC(=O)c2ccc(Br)c(F)c2)CC1.
What is the InChIKey of 4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide?
The InChIKey is WESGMCZTBFRWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-17-10-3-5-11(6-4-10)18-14(19)9-2-7-12(15)13(16)8-9/h2,7-8,10-11,17H,3-6H2,1H3,(H,18,19).
What are the key properties of 4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide?
4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide has a molecular weight of 329.21 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide is sourced from PubChem (CID 79110825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).