N-(2-methoxyethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

C22H24F3N3O3 — CID 42755996

IUPACN-(2-methoxyethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCOCCNC(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1N1CCCC1
InChIInChI=1S/C22H24F3N3O3/c1-31-12-9-26-21(30)18-14-17(7-8-19(18)28-10-2-3-11-28)27-20(29)15-5-4-6-16(13-15)22(23,24)25/h4-8,13-14H,2-3,9-12H2,1H3,(H,26,30)(H,27,29)
InChIKeySWYPAEGGLXUGEO-UHFFFAOYSA-N
MW435.45 g/mol
LogP3.93
Rot. Bonds7

About N-(2-methoxyethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

N-(2-methoxyethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 42755996) has the molecular formula C22H24F3N3O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID42755996
Molecular FormulaC22H24F3N3O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC NameN-(2-methoxyethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCOCCNC(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1N1CCCC1
InChIInChI=1S/C22H24F3N3O3/c1-31-12-9-26-21(30)18-14-17(7-8-19(18)28-10-2-3-11-28)27-20(29)15-5-4-6-16(13-15)22(23,24)25/h4-8,13-14H,2-3,9-12H2,1H3,(H,26,30)(H,27,29)
InChIKeySWYPAEGGLXUGEO-UHFFFAOYSA-N
XLogP3.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 5134042
3,4-dichloro-N-[3-(2-methoxyethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 4528462
5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 3349119
5-[(4-ethylbenzoyl)amino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 5135806
5-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 42661850
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
5-[(3,4-dimethylphenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 4242222
N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756347
5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 5138387
N-(2-phenylethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 1065454
N-(3-ethoxypropyl)-5-[(3-methoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 3573870
N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 3588490

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (CID 42755996) is N-(2-methoxyethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is COCCNC(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1N1CCCC1.
What is the InChIKey of N-(2-methoxyethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is SWYPAEGGLXUGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3/c1-31-12-9-26-21(30)18-14-17(7-8-19(18)28-10-2-3-11-28)27-20(29)15-5-4-6-16(13-15)22(23,24)25/h4-8,13-14H,2-3,9-12H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-(2-methoxyethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
N-(2-methoxyethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 435.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 42755996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).