2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide

C19H18BrF3N2O — CID 4028135

IUPAC2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1Br
InChIInChI=1S/C19H18BrF3N2O/c20-15-7-3-2-6-14(15)18(26)24-16-12-13(19(21,22)23)8-9-17(16)25-10-4-1-5-11-25/h2-3,6-9,12H,1,4-5,10-11H2,(H,24,26)
InChIKeyMVPSFUQFWHFYNM-UHFFFAOYSA-N
MW427.26 g/mol
LogP5.71
Rot. Bonds3

About 2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide

2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 4028135) has the molecular formula C19H18BrF3N2O and a molecular weight of 427.26 g/mol. Its IUPAC name is 2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID4028135
Molecular FormulaC19H18BrF3N2O
Molecular Weight427.26 g/mol
Exact Mass426.06
IUPAC Name2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1Br
InChIInChI=1S/C19H18BrF3N2O/c20-15-7-3-2-6-14(15)18(26)24-16-12-13(19(21,22)23)8-9-17(16)25-10-4-1-5-11-25/h2-3,6-9,12H,1,4-5,10-11H2,(H,24,26)
InChIKeyMVPSFUQFWHFYNM-UHFFFAOYSA-N
XLogP5.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.26
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067749
2-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1422102
5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1288515
2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2065695
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 63049440
1-methyl-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 55756099
2,4-dichloro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1397318
2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 29427087
2-(3-bromo-2-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 146025161
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 953308
2-bromo-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide
CID 50791980
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 146131067

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide (CID 4028135) is 2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is MVPSFUQFWHFYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrF3N2O/c20-15-7-3-2-6-14(15)18(26)24-16-12-13(19(21,22)23)8-9-17(16)25-10-4-1-5-11-25/h2-3,6-9,12H,1,4-5,10-11H2,(H,24,26).
What are the key properties of 2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 427.26 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 4028135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).