N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

C22H23ClF3N3O2 — CID 118723018

IUPACN-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H23ClF3N3O2/c23-18-6-4-15(5-7-18)14-29-10-8-19(9-11-29)28-20(30)13-27-21(31)16-2-1-3-17(12-16)22(24,25)26/h1-7,12,19H,8-11,13-14H2,(H,27,31)(H,28,30)
InChIKeyHGBLRUXCCWUFLK-UHFFFAOYSA-N
MW453.89 g/mol
LogP3.87
Rot. Bonds6

About N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 118723018) has the molecular formula C22H23ClF3N3O2 and a molecular weight of 453.89 g/mol. Its IUPAC name is N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID118723018
Molecular FormulaC22H23ClF3N3O2
Molecular Weight453.89 g/mol
Exact Mass453.14
IUPAC NameN-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H23ClF3N3O2/c23-18-6-4-15(5-7-18)14-29-10-8-19(9-11-29)28-20(30)13-27-21(31)16-2-1-3-17(12-16)22(24,25)26/h1-7,12,19H,8-11,13-14H2,(H,27,31)(H,28,30)
InChIKeyHGBLRUXCCWUFLK-UHFFFAOYSA-N
XLogP3.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.89
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 118723018) is N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is HGBLRUXCCWUFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF3N3O2/c23-18-6-4-15(5-7-18)14-29-10-8-19(9-11-29)28-20(30)13-27-21(31)16-2-1-3-17(12-16)22(24,25)26/h1-7,12,19H,8-11,13-14H2,(H,27,31)(H,28,30).
What are the key properties of N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 453.89 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 118723018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).