N-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide

C22H23F3N2O2 — CID 33205383

IUPACN-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)c1
InChIInChI=1S/C22H23F3N2O2/c1-26-19(28)16-7-4-6-15(12-16)14-27-20(29)21(10-2-3-11-21)17-8-5-9-18(13-17)22(23,24)25/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,26,28)(H,27,29)
InChIKeyFTNXGZLPLSUPKE-UHFFFAOYSA-N
MW404.43 g/mol
LogP4.19
Rot. Bonds5

About N-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide

N-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide (PubChem CID 33205383) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide
PubChem CID33205383
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC NameN-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)c1
InChIInChI=1S/C22H23F3N2O2/c1-26-19(28)16-7-4-6-15(12-16)14-27-20(29)21(10-2-3-11-21)17-8-5-9-18(13-17)22(23,24)25/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,26,28)(H,27,29)
InChIKeyFTNXGZLPLSUPKE-UHFFFAOYSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]methyl]-N-methylbenzamide
CID 33205066
N-methyl-3-[[[N'-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111687262
N-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 51123307
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 4782994
N-methyl-3-[[[N'-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111268100
3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid
CID 119177258
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 18449573
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747
N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 146154637
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119266145
N-methyl-4-[[[N'-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111267064

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide (CID 33205383) is N-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide is CNC(=O)c1cccc(CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)c1.
What is the InChIKey of N-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide?
The InChIKey is FTNXGZLPLSUPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c1-26-19(28)16-7-4-6-15(12-16)14-27-20(29)21(10-2-3-11-21)17-8-5-9-18(13-17)22(23,24)25/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide?
N-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide has a molecular weight of 404.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide is sourced from PubChem (CID 33205383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).