anisole;2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide

C22H26ClF3N2O2 — CID 143551131

IUPACanisole;2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCC1CCCN1CCNC(=O)c1cccc(C(F)(F)F)c1Cl.COc1ccccc1
InChIInChI=1S/C15H18ClF3N2O.C7H8O/c1-10-4-3-8-21(10)9-7-20-14(22)11-5-2-6-12(13(11)16)15(17,18)19;1-8-7-5-3-2-4-6-7/h2,5-6,10H,3-4,7-9H2,1H3,(H,20,22);2-6H,1H3
InChIKeyRACKYMXKDOBKEQ-UHFFFAOYSA-N
MW442.91 g/mol
LogP5.27
Rot. Bonds5

About anisole;2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide

anisole;2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 143551131) has the molecular formula C22H26ClF3N2O2 and a molecular weight of 442.91 g/mol. Its IUPAC name is anisole;2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Nameanisole;2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID143551131
Molecular FormulaC22H26ClF3N2O2
Molecular Weight442.91 g/mol
Exact Mass442.16
IUPAC Nameanisole;2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCC1CCCN1CCNC(=O)c1cccc(C(F)(F)F)c1Cl.COc1ccccc1
InChIInChI=1S/C15H18ClF3N2O.C7H8O/c1-10-4-3-8-21(10)9-7-20-14(22)11-5-2-6-12(13(11)16)15(17,18)19;1-8-7-5-3-2-4-6-7/h2,5-6,10H,3-4,7-9H2,1H3,(H,20,22);2-6H,1H3
InChIKeyRACKYMXKDOBKEQ-UHFFFAOYSA-N
XLogP5.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.91
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze anisole;2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide 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

2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 143551121
2-chloro-N-[(1S)-1-(2-methoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 24757598
2-chloro-N-[(1S)-1-(3-methoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide;(1S)-1-(3-methoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 159703398
2-chloro-N-[2-(2-methylpyrrolidin-1-yl)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)benzamide
CID 24756561
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 175740538
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide
CID 42266376
2-chloro-N-[(S)-[(2R,6R)-1,6-dimethylpiperidin-2-yl]-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 11998344
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide
CID 94115261
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903
2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide
CID 163353879
1-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrazole-3-carboxamide
CID 94605143

Frequently Asked Questions

What is the IUPAC name of anisole;2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of anisole;2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide (CID 143551131) is anisole;2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for anisole;2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for anisole;2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide is CC1CCCN1CCNC(=O)c1cccc(C(F)(F)F)c1Cl.COc1ccccc1.
What is the InChIKey of anisole;2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is RACKYMXKDOBKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O.C7H8O/c1-10-4-3-8-21(10)9-7-20-14(22)11-5-2-6-12(13(11)16)15(17,18)19;1-8-7-5-3-2-4-6-7/h2,5-6,10H,3-4,7-9H2,1H3,(H,20,22);2-6H,1H3.
What are the key properties of anisole;2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide?
anisole;2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 442.91 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 143551131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).