N-[(3R)-1-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide

C24H27F3N4O2 — CID 10027282

IUPACN-[(3R)-1-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N2CC[C@@H](N)C2)C1
InChIInChI=1S/C24H27F3N4O2/c1-29(21-11-13-31(15-21)23(33)30-12-10-20(28)14-30)22(32)18-4-2-16(3-5-18)17-6-8-19(9-7-17)24(25,26)27/h2-9,20-21H,10-15,28H2,1H3/t20-,21-/m1/s1
InChIKeyGHRDURYEBFOINE-NHCUHLMSSA-N
MW460.50 g/mol
LogP3.67
Rot. Bonds3

About N-[(3R)-1-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide

N-[(3R)-1-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 10027282) has the molecular formula C24H27F3N4O2 and a molecular weight of 460.50 g/mol. Its IUPAC name is N-[(3R)-1-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[(3R)-1-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID10027282
Molecular FormulaC24H27F3N4O2
Molecular Weight460.50 g/mol
Exact Mass460.21
IUPAC NameN-[(3R)-1-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N2CC[C@@H](N)C2)C1
InChIInChI=1S/C24H27F3N4O2/c1-29(21-11-13-31(15-21)23(33)30-12-10-20(28)14-30)22(32)18-4-2-16(3-5-18)17-6-8-19(9-7-17)24(25,26)27/h2-9,20-21H,10-15,28H2,1H3/t20-,21-/m1/s1
InChIKeyGHRDURYEBFOINE-NHCUHLMSSA-N
XLogP3.67
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 58651073
N-[1-(4-aminocyclohexyl)pyrrolidin-3-yl]-N-methyl-3-[methyl-[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrolidine-1-carboxamide
CID 140504489
N-methyl-N-[(3S)-1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-4-[4-(trifluoromethyl)phenyl]benzamide;N-methyl-N-[(3S)-pyrrolidin-3-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 91107301
N-methyl-N-[(3R)-1-[(3R)-3-(3-phenylpropylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 10053938
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702
N-methyl-N-[(3S)-3-methylpiperidin-4-yl]-3-[methyl-[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrolidine-1-carboxamide
CID 142940673
4-(4-ethylphenyl)-N-[1-(3-hydroxypyrrolidine-1-carbonyl)pyrrolidin-3-yl]-N-methylbenzamide
CID 21034254
2-[3-[methyl-[3-[methyl-[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrolidine-1-carbonyl]amino]pyrrolidin-1-yl]ethyl methanesulfonate
CID 140504481
4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 121450358
N-[1-[3-(cycloheptylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 10460494
N-methyl-4-phenyl-N-[(3S)-1-[3-(3-phenylpropylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide
CID 10324082
1-(3-aminopyrrolidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropan-1-one
CID 142387276

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[(3R)-1-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide (CID 10027282) is N-[(3R)-1-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[(3R)-1-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[(3R)-1-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide is CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N2CC[C@@H](N)C2)C1.
What is the InChIKey of N-[(3R)-1-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GHRDURYEBFOINE-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H27F3N4O2/c1-29(21-11-13-31(15-21)23(33)30-12-10-20(28)14-30)22(32)18-4-2-16(3-5-18)17-6-8-19(9-7-17)24(25,26)27/h2-9,20-21H,10-15,28H2,1H3/t20-,21-/m1/s1.
What are the key properties of N-[(3R)-1-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
N-[(3R)-1-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 460.50 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 10027282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).