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

C20H21F3N2O2 — CID 110640583

IUPACN-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(N2CCC(CNC(=O)c3ccc(C(F)(F)F)cc3)C2)cc1
InChIInChI=1S/C20H21F3N2O2/c1-27-18-8-6-17(7-9-18)25-11-10-14(13-25)12-24-19(26)15-2-4-16(5-3-15)20(21,22)23/h2-9,14H,10-13H2,1H3,(H,24,26)
InChIKeyHURAZKYYQVDTBC-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.97
Rot. Bonds5

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

N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 110640583) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID110640583
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(N2CCC(CNC(=O)c3ccc(C(F)(F)F)cc3)C2)cc1
InChIInChI=1S/C20H21F3N2O2/c1-27-18-8-6-17(7-9-18)25-11-10-14(13-25)12-24-19(26)15-2-4-16(5-3-15)20(21,22)23/h2-9,14H,10-13H2,1H3,(H,24,26)
InChIKeyHURAZKYYQVDTBC-UHFFFAOYSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 110640547
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640530
4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 94815305
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 110640542
6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide
CID 25259629
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 154750165
N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide
CID 106124320
N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 16829927
4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
CID 16895405
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide (CID 110640583) is N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide is COc1ccc(N2CCC(CNC(=O)c3ccc(C(F)(F)F)cc3)C2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is HURAZKYYQVDTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-27-18-8-6-17(7-9-18)25-11-10-14(13-25)12-24-19(26)15-2-4-16(5-3-15)20(21,22)23/h2-9,14H,10-13H2,1H3,(H,24,26).
What are the key properties of N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide?
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 378.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 110640583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).