N-(3,5-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide

C23H24Cl2F3N3O — CID 44548698

IUPACN-(3,5-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H24Cl2F3N3O/c24-17-12-18(25)14-19(13-17)29-22(32)15-9-16(23(26,27)28)11-21(10-15)31-7-3-20(4-8-31)30-5-1-2-6-30/h9-14,20H,1-8H2,(H,29,32)
InChIKeyWIQYGYOBAWPEAR-UHFFFAOYSA-N
MW486.37 g/mol
LogP6.33
Rot. Bonds4

About N-(3,5-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide

N-(3,5-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide (PubChem CID 44548698) has the molecular formula C23H24Cl2F3N3O and a molecular weight of 486.37 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
PubChem CID44548698
Molecular FormulaC23H24Cl2F3N3O
Molecular Weight486.37 g/mol
Exact Mass485.12
IUPAC NameN-(3,5-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H24Cl2F3N3O/c24-17-12-18(25)14-19(13-17)29-22(32)15-9-16(23(26,27)28)11-21(10-15)31-7-3-20(4-8-31)30-5-1-2-6-30/h9-14,20H,1-8H2,(H,29,32)
InChIKeyWIQYGYOBAWPEAR-UHFFFAOYSA-N
XLogP6.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.37
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)benzamide
CID 24884480
N-(3-chlorophenyl)-4-(pyrrolidin-1-yl)-3-(trifluoromethyl)benzamide
CID 25175783
N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 44546661
3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 44547429
3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide
CID 44547724
N-(4-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
CID 44548189
N-(3-cyanophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
CID 44548368
N-(4-bromo-3-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
CID 44548369
N-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
CID 44548370
3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 44548371
N-(3,4-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
CID 44548539
N-(3-chlorophenyl)-3-(4-piperidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
CID 46879386

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide (CID 44548698) is N-(3,5-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is WIQYGYOBAWPEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2F3N3O/c24-17-12-18(25)14-19(13-17)29-22(32)15-9-16(23(26,27)28)11-21(10-15)31-7-3-20(4-8-31)30-5-1-2-6-30/h9-14,20H,1-8H2,(H,29,32).
What are the key properties of N-(3,5-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
N-(3,5-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 486.37 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 44548698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).