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

C25H29F3N4O3 — CID 42751288

IUPACN-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(N2CCCC2)c(C(=O)NCCN2CCOCC2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H29F3N4O3/c26-25(27,28)19-5-3-18(4-6-19)23(33)30-20-7-8-22(32-10-1-2-11-32)21(17-20)24(34)29-9-12-31-13-15-35-16-14-31/h3-8,17H,1-2,9-16H2,(H,29,34)(H,30,33)
InChIKeyZGAYFCXIYINVNM-UHFFFAOYSA-N
MW490.53 g/mol
LogP3.62
Rot. Bonds7

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

N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 42751288) has the molecular formula C25H29F3N4O3 and a molecular weight of 490.53 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID42751288
Molecular FormulaC25H29F3N4O3
Molecular Weight490.53 g/mol
Exact Mass490.22
IUPAC NameN-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(N2CCCC2)c(C(=O)NCCN2CCOCC2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H29F3N4O3/c26-25(27,28)19-5-3-18(4-6-19)23(33)30-20-7-8-22(32-10-1-2-11-32)21(17-20)24(34)29-9-12-31-13-15-35-16-14-31/h3-8,17H,1-2,9-16H2,(H,29,34)(H,30,33)
InChIKeyZGAYFCXIYINVNM-UHFFFAOYSA-N
XLogP3.62
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 5033601
5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 4039742
5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1063900
2-(4-benzylpiperazin-1-yl)-5-[(4-ethylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 1063963
N-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 42659847
N-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42751272
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 5134042
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)-5-[(4-phenylbenzoyl)amino]benzamide
CID 1064004
5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 1064583
5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1064254
5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751409
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide (CID 42751288) is N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide is O=C(Nc1ccc(N2CCCC2)c(C(=O)NCCN2CCOCC2)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is ZGAYFCXIYINVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O3/c26-25(27,28)19-5-3-18(4-6-19)23(33)30-20-7-8-22(32-10-1-2-11-32)21(17-20)24(34)29-9-12-31-13-15-35-16-14-31/h3-8,17H,1-2,9-16H2,(H,29,34)(H,30,33).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide?
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 490.53 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 42751288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).