(3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide

C15H18F3N3O3 — CID 94109320

IUPAC(3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)[C@H]1CCN(C(=O)NCCc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)24-12-3-1-10(2-4-12)5-7-20-14(23)21-8-6-11(9-21)13(19)22/h1-4,11H,5-9H2,(H2,19,22)(H,20,23)/t11-/m0/s1
InChIKeyWTSFORVDNDFWPX-NSHDSACASA-N
MW345.32 g/mol
LogP1.64
Rot. Bonds5

About (3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide

(3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide (PubChem CID 94109320) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is (3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide
PubChem CID94109320
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name(3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)[C@H]1CCN(C(=O)NCCc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)24-12-3-1-10(2-4-12)5-7-20-14(23)21-8-6-11(9-21)13(19)22/h1-4,11H,5-9H2,(H2,19,22)(H,20,23)/t11-/m0/s1
InChIKeyWTSFORVDNDFWPX-NSHDSACASA-N
XLogP1.64
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]pyrrolidine-3-carboxamide
CID 56815741
ethyl 1-[N'-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111157136
(3R)-1-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-1,3-dicarboxamide
CID 99773480
(3aR,8aS)-N-[2-(2H-triazol-4-yl)ethyl]-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine-2-carboxamide
CID 118568428
(3R)-1-N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide
CID 94049302
1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide
CID 56797928
N-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide
CID 56878321
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine
CID 126728159
3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288366
1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide
CID 108503193
(3R)-1-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1,3-dicarboxamide
CID 95299541
(2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide
CID 95174211

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide (CID 94109320) is (3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide is NC(=O)[C@H]1CCN(C(=O)NCCc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of (3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is WTSFORVDNDFWPX-NSHDSACASA-N. The full InChI is InChI=1S/C15H18F3N3O3/c16-15(17,18)24-12-3-1-10(2-4-12)5-7-20-14(23)21-8-6-11(9-21)13(19)22/h1-4,11H,5-9H2,(H2,19,22)(H,20,23)/t11-/m0/s1.
What are the key properties of (3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide?
(3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 345.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 94109320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).