N-[[3-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide

C26H25F3N2O2 — CID 123919664

IUPACN-[[3-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(Oc2ccc(C(F)(F)F)cc2-c2cccc(CNC(=O)C3CCCN3)c2)cc1
InChIInChI=1S/C26H25F3N2O2/c1-17-7-10-21(11-8-17)33-24-12-9-20(26(27,28)29)15-22(24)19-5-2-4-18(14-19)16-31-25(32)23-6-3-13-30-23/h2,4-5,7-12,14-15,23,30H,3,6,13,16H2,1H3,(H,31,32)
InChIKeyNGRNUEKGGBVQPR-UHFFFAOYSA-N
MW454.49 g/mol
LogP5.84
Rot. Bonds6

About N-[[3-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide

N-[[3-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 123919664) has the molecular formula C26H25F3N2O2 and a molecular weight of 454.49 g/mol. Its IUPAC name is N-[[3-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID123919664
Molecular FormulaC26H25F3N2O2
Molecular Weight454.49 g/mol
Exact Mass454.19
IUPAC NameN-[[3-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(Oc2ccc(C(F)(F)F)cc2-c2cccc(CNC(=O)C3CCCN3)c2)cc1
InChIInChI=1S/C26H25F3N2O2/c1-17-7-10-21(11-8-17)33-24-12-9-20(26(27,28)29)15-22(24)19-5-2-4-18(14-19)16-31-25(32)23-6-3-13-30-23/h2,4-5,7-12,14-15,23,30H,3,6,13,16H2,1H3,(H,31,32)
InChIKeyNGRNUEKGGBVQPR-UHFFFAOYSA-N
XLogP5.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.49
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119679731
N-[[3-(trifluoromethyl)phenyl]methyl]azepane-2-carboxamide
CID 64562207
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
N-[[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 118288752
N-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 137067137
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119277640
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride
CID 119325642
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119286438
(2S)-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 166226032

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[3-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide (CID 123919664) is N-[[3-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[3-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[3-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide is Cc1ccc(Oc2ccc(C(F)(F)F)cc2-c2cccc(CNC(=O)C3CCCN3)c2)cc1.
What is the InChIKey of N-[[3-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is NGRNUEKGGBVQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O2/c1-17-7-10-21(11-8-17)33-24-12-9-20(26(27,28)29)15-22(24)19-5-2-4-18(14-19)16-31-25(32)23-6-3-13-30-23/h2,4-5,7-12,14-15,23,30H,3,6,13,16H2,1H3,(H,31,32).
What are the key properties of N-[[3-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide?
N-[[3-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 5.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123919664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).