N-cyclopropyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide

C24H27F3N4O2 — CID 17480349

IUPACN-cyclopropyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C24H27F3N4O2/c25-24(26,27)18-5-3-4-17(14-18)15-30-10-12-31(13-11-30)16-22(32)29-21-7-2-1-6-20(21)23(33)28-19-8-9-19/h1-7,14,19H,8-13,15-16H2,(H,28,33)(H,29,32)
InChIKeyJBDNZAVSIBZUME-UHFFFAOYSA-N
MW460.50 g/mol
LogP3.35
Rot. Bonds7

About N-cyclopropyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide

N-cyclopropyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 17480349) has the molecular formula C24H27F3N4O2 and a molecular weight of 460.50 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide
PubChem CID17480349
Molecular FormulaC24H27F3N4O2
Molecular Weight460.50 g/mol
Exact Mass460.21
IUPAC NameN-cyclopropyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C24H27F3N4O2/c25-24(26,27)18-5-3-4-17(14-18)15-30-10-12-31(13-11-30)16-22(32)29-21-7-2-1-6-20(21)23(33)28-19-8-9-19/h1-7,14,19H,8-13,15-16H2,(H,28,33)(H,29,32)
InChIKeyJBDNZAVSIBZUME-UHFFFAOYSA-N
XLogP3.35
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
N-cyclopropyl-2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 25353415
N-cyclopropyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 2697520
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 7838966
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 163345849
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530807
2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
CID 8704585
N-(2-methylbutan-2-yl)-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 18088722
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 55945248
N-cyclopentyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide
CID 8688467
N-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55841828
N-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55840022

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide (CID 17480349) is N-cyclopropyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide is O=C(CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is JBDNZAVSIBZUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O2/c25-24(26,27)18-5-3-4-17(14-18)15-30-10-12-31(13-11-30)16-22(32)29-21-7-2-1-6-20(21)23(33)28-19-8-9-19/h1-7,14,19H,8-13,15-16H2,(H,28,33)(H,29,32).
What are the key properties of N-cyclopropyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 460.50 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 17480349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).