N-[2-(2-pyrrolidin-1-ylethyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]propanamide

C22H25F3N2O3 — CID 140602516

IUPACN-[2-(2-pyrrolidin-1-ylethyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Oc2cccc(OC(F)(F)F)c2)c1CCN1CCCC1
InChIInChI=1S/C22H25F3N2O3/c1-2-21(28)26-19-9-6-10-20(18(19)11-14-27-12-3-4-13-27)29-16-7-5-8-17(15-16)30-22(23,24)25/h5-10,15H,2-4,11-14H2,1H3,(H,26,28)
InChIKeySNNHWKVMAVYRGK-UHFFFAOYSA-N
MW422.45 g/mol
LogP5.36
Rot. Bonds8

About N-[2-(2-pyrrolidin-1-ylethyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]propanamide

N-[2-(2-pyrrolidin-1-ylethyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]propanamide (PubChem CID 140602516) has the molecular formula C22H25F3N2O3 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[2-(2-pyrrolidin-1-ylethyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-pyrrolidin-1-ylethyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]propanamide
PubChem CID140602516
Molecular FormulaC22H25F3N2O3
Molecular Weight422.45 g/mol
Exact Mass422.18
IUPAC NameN-[2-(2-pyrrolidin-1-ylethyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Oc2cccc(OC(F)(F)F)c2)c1CCN1CCCC1
InChIInChI=1S/C22H25F3N2O3/c1-2-21(28)26-19-9-6-10-20(18(19)11-14-27-12-3-4-13-27)29-16-7-5-8-17(15-16)30-22(23,24)25/h5-10,15H,2-4,11-14H2,1H3,(H,26,28)
InChIKeySNNHWKVMAVYRGK-UHFFFAOYSA-N
XLogP5.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.45
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-pyrrolidin-1-ylethyl)-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 10435316
N-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
CID 24879056
4-pyrrolidin-1-yl-N-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173864
N-(2-methylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31773766
N-[2-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenoxy)phenyl]propanamide
CID 140602517
1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 95143295
N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31773740
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47201193
N-ethyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586058
N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586045
3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 60560548
1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 38267925

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrrolidin-1-ylethyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]propanamide?
The IUPAC name of N-[2-(2-pyrrolidin-1-ylethyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]propanamide (CID 140602516) is N-[2-(2-pyrrolidin-1-ylethyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]propanamide.
What is the SMILES notation for N-[2-(2-pyrrolidin-1-ylethyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]propanamide?
The canonical SMILES for N-[2-(2-pyrrolidin-1-ylethyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]propanamide is CCC(=O)Nc1cccc(Oc2cccc(OC(F)(F)F)c2)c1CCN1CCCC1.
What is the InChIKey of N-[2-(2-pyrrolidin-1-ylethyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]propanamide?
The InChIKey is SNNHWKVMAVYRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O3/c1-2-21(28)26-19-9-6-10-20(18(19)11-14-27-12-3-4-13-27)29-16-7-5-8-17(15-16)30-22(23,24)25/h5-10,15H,2-4,11-14H2,1H3,(H,26,28).
What are the key properties of N-[2-(2-pyrrolidin-1-ylethyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]propanamide?
N-[2-(2-pyrrolidin-1-ylethyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]propanamide has a molecular weight of 422.45 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrrolidin-1-ylethyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]propanamide is sourced from PubChem (CID 140602516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).