3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide

C19H20F3N3O — CID 119888128

IUPAC3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
SMILESNc1cccc(C(=O)NC2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)15-6-4-13(5-7-15)11-25-9-8-17(12-25)24-18(26)14-2-1-3-16(23)10-14/h1-7,10,17H,8-9,11-12,23H2,(H,24,26)
InChIKeyMLABOFVSDIRJHF-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.29
Rot. Bonds4

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

3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide (PubChem CID 119888128) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is 3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
PubChem CID119888128
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
SMILESNc1cccc(C(=O)NC2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)15-6-4-13(5-7-15)11-25-9-8-17(12-25)24-18(26)14-2-1-3-16(23)10-14/h1-7,10,17H,8-9,11-12,23H2,(H,24,26)
InChIKeyMLABOFVSDIRJHF-UHFFFAOYSA-N
XLogP3.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide
CID 119883504
N-ethyl-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]carbamoylamino]benzamide
CID 86952550
3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride
CID 119857402
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
1-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119888114
N,N-dimethyl-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]carbamoylamino]benzamide
CID 86952237
2-methylsulfanyl-N-[(3R)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 96547753
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
CID 43711659
3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 136525672
N-[2-[[1-[(4-butylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 18426147
3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 119879126
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 40952996

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide (CID 119888128) is 3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide is Nc1cccc(C(=O)NC2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1.
What is the InChIKey of 3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide?
The InChIKey is MLABOFVSDIRJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c20-19(21,22)15-6-4-13(5-7-15)11-25-9-8-17(12-25)24-18(26)14-2-1-3-16(23)10-14/h1-7,10,17H,8-9,11-12,23H2,(H,24,26).
What are the key properties of 3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide?
3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide has a molecular weight of 363.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 119888128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).