3-bromo-N-[3-(3-fluoro-4-methylphenyl)piperidin-4-yl]-N-methyl-5-(trifluoromethyl)benzamide

C21H21BrF4N2O — CID 87628130

IUPAC3-bromo-N-[3-(3-fluoro-4-methylphenyl)piperidin-4-yl]-N-methyl-5-(trifluoromethyl)benzamide
SMILESCc1ccc(C2CNCCC2N(C)C(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C21H21BrF4N2O/c1-12-3-4-13(9-18(12)23)17-11-27-6-5-19(17)28(2)20(29)14-7-15(21(24,25)26)10-16(22)8-14/h3-4,7-10,17,19,27H,5-6,11H2,1-2H3
InChIKeyRKAMYDUTDPCCPX-UHFFFAOYSA-N
MW473.31 g/mol
LogP5.13
Rot. Bonds3

About 3-bromo-N-[3-(3-fluoro-4-methylphenyl)piperidin-4-yl]-N-methyl-5-(trifluoromethyl)benzamide

3-bromo-N-[3-(3-fluoro-4-methylphenyl)piperidin-4-yl]-N-methyl-5-(trifluoromethyl)benzamide (PubChem CID 87628130) has the molecular formula C21H21BrF4N2O and a molecular weight of 473.31 g/mol. Its IUPAC name is 3-bromo-N-[3-(3-fluoro-4-methylphenyl)piperidin-4-yl]-N-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(3-fluoro-4-methylphenyl)piperidin-4-yl]-N-methyl-5-(trifluoromethyl)benzamide
PubChem CID87628130
Molecular FormulaC21H21BrF4N2O
Molecular Weight473.31 g/mol
Exact Mass472.08
IUPAC Name3-bromo-N-[3-(3-fluoro-4-methylphenyl)piperidin-4-yl]-N-methyl-5-(trifluoromethyl)benzamide
SMILESCc1ccc(C2CNCCC2N(C)C(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C21H21BrF4N2O/c1-12-3-4-13(9-18(12)23)17-11-27-6-5-19(17)28(2)20(29)14-7-15(21(24,25)26)10-16(22)8-14/h3-4,7-10,17,19,27H,5-6,11H2,1-2H3
InChIKeyRKAMYDUTDPCCPX-UHFFFAOYSA-N
XLogP5.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.31
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-[3-(3-fluoro-4-methylphenyl)piperidin-4-yl]-N-methyl-5-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[(3R,4R)-3-(4-bromophenyl)piperidin-4-yl]-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride
CID 87628270
N-[3-(4-fluorophenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 87629375
N-methyl-N-[(3R,4R)-3-(4-methylphenyl)piperidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 86631370
N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-(3-fluoro-4-methylphenyl)piperidin-4-yl]-3-bromo-N-methyl-5-(trifluoromethyl)benzamide
CID 68934439
N-[(3R,4R)-3-(3-fluoro-4-methylphenyl)-1-piperidin-4-ylpiperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide;dihydrochloride
CID 87628947
N-[(3R,4S)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 86631302
3-bromo-N-[3-(3,4-dichlorophenyl)-1-piperidin-4-ylpiperidin-4-yl]-N-methyl-5-(trifluoromethyl)benzamide
CID 87627608
N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-(3-fluoro-4-methylphenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 86631355
N-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 87629571
4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride
CID 68870525
(3R,4R)-4-[[3-bromo-5-(trifluoromethyl)benzoyl]-methylamino]-3-(3,4-dichlorophenyl)piperidine-1-carboxylic acid
CID 87627410
2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluorophenyl)piperidin-4-yl]-N,2-dimethylpropanamide
CID 58990677

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(3-fluoro-4-methylphenyl)piperidin-4-yl]-N-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-bromo-N-[3-(3-fluoro-4-methylphenyl)piperidin-4-yl]-N-methyl-5-(trifluoromethyl)benzamide (CID 87628130) is 3-bromo-N-[3-(3-fluoro-4-methylphenyl)piperidin-4-yl]-N-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-bromo-N-[3-(3-fluoro-4-methylphenyl)piperidin-4-yl]-N-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-bromo-N-[3-(3-fluoro-4-methylphenyl)piperidin-4-yl]-N-methyl-5-(trifluoromethyl)benzamide is Cc1ccc(C2CNCCC2N(C)C(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1F.
What is the InChIKey of 3-bromo-N-[3-(3-fluoro-4-methylphenyl)piperidin-4-yl]-N-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is RKAMYDUTDPCCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrF4N2O/c1-12-3-4-13(9-18(12)23)17-11-27-6-5-19(17)28(2)20(29)14-7-15(21(24,25)26)10-16(22)8-14/h3-4,7-10,17,19,27H,5-6,11H2,1-2H3.
What are the key properties of 3-bromo-N-[3-(3-fluoro-4-methylphenyl)piperidin-4-yl]-N-methyl-5-(trifluoromethyl)benzamide?
3-bromo-N-[3-(3-fluoro-4-methylphenyl)piperidin-4-yl]-N-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 473.31 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(3-fluoro-4-methylphenyl)piperidin-4-yl]-N-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 87628130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).