2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide

C19H17Cl2F3N2O — CID 2065695

IUPAC2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2F3N2O/c20-13-5-6-14(15(21)11-13)18(27)25-16-10-12(19(22,23)24)4-7-17(16)26-8-2-1-3-9-26/h4-7,10-11H,1-3,8-9H2,(H,25,27)
InChIKeyRWUSRLBSKQEAAV-UHFFFAOYSA-N
MW417.26 g/mol
LogP6.25
Rot. Bonds3

About 2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide

2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 2065695) has the molecular formula C19H17Cl2F3N2O and a molecular weight of 417.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID2065695
Molecular FormulaC19H17Cl2F3N2O
Molecular Weight417.26 g/mol
Exact Mass416.07
IUPAC Name2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2F3N2O/c20-13-5-6-14(15(21)11-13)18(27)25-16-10-12(19(22,23)24)4-7-17(16)26-8-2-1-3-9-26/h4-7,10-11H,1-3,8-9H2,(H,25,27)
InChIKeyRWUSRLBSKQEAAV-UHFFFAOYSA-N
XLogP6.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.26
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26880886
2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067749
2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 4028135
2-chloro-N-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide
CID 7922555
N-(2-amino-4-methyl-5-piperidin-1-ylphenyl)-2,4-dichlorobenzamide
CID 91684113
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
2-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1422102
5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55676456
(E)-3-(2,4-dichlorophenyl)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]prop-2-enamide
CID 17115724
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 146131067

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide (CID 2065695) is 2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is RWUSRLBSKQEAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F3N2O/c20-13-5-6-14(15(21)11-13)18(27)25-16-10-12(19(22,23)24)4-7-17(16)26-8-2-1-3-9-26/h4-7,10-11H,1-3,8-9H2,(H,25,27).
What are the key properties of 2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 417.26 g/mol, XLogP of 6.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2065695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).