N-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide

C14H17F3N2O2 — CID 69016004

IUPACN-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)c(OCC2CCCN2)c1
InChIInChI=1S/C14H17F3N2O2/c1-9(20)19-10-4-5-12(14(15,16)17)13(7-10)21-8-11-3-2-6-18-11/h4-5,7,11,18H,2-3,6,8H2,1H3,(H,19,20)
InChIKeyKWDJBADIUKBPNO-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.79
Rot. Bonds4

About N-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide

N-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 69016004) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide
PubChem CID69016004
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)c(OCC2CCCN2)c1
InChIInChI=1S/C14H17F3N2O2/c1-9(20)19-10-4-5-12(14(15,16)17)13(7-10)21-8-11-3-2-6-18-11/h4-5,7,11,18H,2-3,6,8H2,1H3,(H,19,20)
InChIKeyKWDJBADIUKBPNO-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride
CID 67804532
N-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide
CID 106637015
4-(pyrrolidin-2-ylmethoxy)-2-(trifluoromethyl)benzamide
CID 62347502
N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119713243
N-[2-chloro-5,6-bis[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
CID 54158525
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyridine-3-carboxamide;molecular hydrogen
CID 159469291
N-[2-fluoro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
CID 54387208
2-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806173
4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline
CID 117095591
N-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide
CID 82297605
3-(dimethylamino)-4-(pyrrolidin-2-ylmethoxy)benzoic acid
CID 141036407

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide (CID 69016004) is N-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(C(F)(F)F)c(OCC2CCCN2)c1.
What is the InChIKey of N-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KWDJBADIUKBPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9(20)19-10-4-5-12(14(15,16)17)13(7-10)21-8-11-3-2-6-18-11/h4-5,7,11,18H,2-3,6,8H2,1H3,(H,19,20).
What are the key properties of N-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide?
N-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 302.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 69016004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).