N-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide

C25H28F3N3O2 — CID 42659847

IUPACN-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(N2CCCC2)c(C(=O)NC2CCCCC2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H28F3N3O2/c26-25(27,28)18-10-8-17(9-11-18)23(32)30-20-12-13-22(31-14-4-5-15-31)21(16-20)24(33)29-19-6-2-1-3-7-19/h8-13,16,19H,1-7,14-15H2,(H,29,33)(H,30,32)
InChIKeyMLMWMYHDAXGCEF-UHFFFAOYSA-N
MW459.51 g/mol
LogP5.62
Rot. Bonds5

About N-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide

N-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 42659847) has the molecular formula C25H28F3N3O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID42659847
Molecular FormulaC25H28F3N3O2
Molecular Weight459.51 g/mol
Exact Mass459.21
IUPAC NameN-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(N2CCCC2)c(C(=O)NC2CCCCC2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H28F3N3O2/c26-25(27,28)18-10-8-17(9-11-18)23(32)30-20-12-13-22(31-14-4-5-15-31)21(16-20)24(33)29-19-6-2-1-3-7-19/h8-13,16,19H,1-7,14-15H2,(H,29,33)(H,30,32)
InChIKeyMLMWMYHDAXGCEF-UHFFFAOYSA-N
XLogP5.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.51
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 3950212
5-[(4-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064480
5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064478
5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 42659848
5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 42752999
5-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064488
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 42751288
5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3875300
N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide
CID 5032555
2-piperidin-1-yl-N-(pyridin-3-ylmethyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 42755646
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 5206586
5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide
CID 1063518

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide (CID 42659847) is N-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide is O=C(Nc1ccc(N2CCCC2)c(C(=O)NC2CCCCC2)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is MLMWMYHDAXGCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O2/c26-25(27,28)18-10-8-17(9-11-18)23(32)30-20-12-13-22(31-14-4-5-15-31)21(16-20)24(33)29-19-6-2-1-3-7-19/h8-13,16,19H,1-7,14-15H2,(H,29,33)(H,30,32).
What are the key properties of N-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide?
N-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 459.51 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 42659847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).