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

C23H25ClF3N3O — CID 44548370

IUPACN-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H25ClF3N3O/c24-18-4-3-5-19(15-18)28-22(31)16-12-17(23(25,26)27)14-21(13-16)30-10-6-20(7-11-30)29-8-1-2-9-29/h3-5,12-15,20H,1-2,6-11H2,(H,28,31)
InChIKeyLVBQGVRVSQECGL-UHFFFAOYSA-N
MW451.92 g/mol
LogP5.68
Rot. Bonds4

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

N-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide (PubChem CID 44548370) has the molecular formula C23H25ClF3N3O and a molecular weight of 451.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
PubChem CID44548370
Molecular FormulaC23H25ClF3N3O
Molecular Weight451.92 g/mol
Exact Mass451.16
IUPAC NameN-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H25ClF3N3O/c24-18-4-3-5-19(15-18)28-22(31)16-12-17(23(25,26)27)14-21(13-16)30-10-6-20(7-11-30)29-8-1-2-9-29/h3-5,12-15,20H,1-2,6-11H2,(H,28,31)
InChIKeyLVBQGVRVSQECGL-UHFFFAOYSA-N
XLogP5.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.92
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Chlorophenyl)piperazinyl 3-methylphenyl ketone
CID 4006554
N-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-4-fluorobenzamide
CID 42266988
1-(3-Chlorophenyl)-4-(4-fluorobenzoyl)piperazine
CID 681767
3-[[3,5-bis(trifluoromethyl)benzoyl]-methylamino]-4-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]benzamide
CID 44305248
3-chloro-N-[4-(pyrrolidin-1-yl)phenyl]benzamide
CID 960879
N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-2-fluoro-benzamide
CID 740785
N-(3-{1-[4-(4-chlorophenyl)-4-oxobutyl]-4-piperidinyl}phenyl)-2-methylpropanamide
CID 10137322
N-(3-{1-[4-(4-chlorophenyl)-4-oxobutyl)-4-piperidinyl]phenyl}-acetamide
CID 16756402
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

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide (CID 44548370) is N-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide is O=C(Nc1cccc(Cl)c1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is LVBQGVRVSQECGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF3N3O/c24-18-4-3-5-19(15-18)28-22(31)16-12-17(23(25,26)27)14-21(13-16)30-10-6-20(7-11-30)29-8-1-2-9-29/h3-5,12-15,20H,1-2,6-11H2,(H,28,31).
What are the key properties of N-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
N-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 451.92 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 44548370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).