N-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentanecarboxamide

C21H21F4NO — CID 129157432

IUPACN-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentanecarboxamide
SMILESO=C(NCc1cccc(-c2cc(CF)cc(C(F)(F)F)c2)c1)C1CCCC1
InChIInChI=1S/C21H21F4NO/c22-12-15-9-18(11-19(10-15)21(23,24)25)17-7-3-4-14(8-17)13-26-20(27)16-5-1-2-6-16/h3-4,7-11,16H,1-2,5-6,12-13H2,(H,26,27)
InChIKeyOAZHDFNDGWEANN-UHFFFAOYSA-N
MW379.40 g/mol
LogP5.65
Rot. Bonds5

About N-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentanecarboxamide

N-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentanecarboxamide (PubChem CID 129157432) has the molecular formula C21H21F4NO and a molecular weight of 379.40 g/mol. Its IUPAC name is N-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentanecarboxamide
PubChem CID129157432
Molecular FormulaC21H21F4NO
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC NameN-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentanecarboxamide
SMILESO=C(NCc1cccc(-c2cc(CF)cc(C(F)(F)F)c2)c1)C1CCCC1
InChIInChI=1S/C21H21F4NO/c22-12-15-9-18(11-19(10-15)21(23,24)25)17-7-3-4-14(8-17)13-26-20(27)16-5-1-2-6-16/h3-4,7-11,16H,1-2,5-6,12-13H2,(H,26,27)
InChIKeyOAZHDFNDGWEANN-UHFFFAOYSA-N
XLogP5.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.40
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 129157377
(3S)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluorocyclopentane-1-carboxamide
CID 118342893
N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide
CID 46450428
tert-butyl 2-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 123227667
(5R)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluoro-1,3-azasilolidine-5-carboxamide
CID 162594944
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
N-[[3-(furan-2-yl)phenyl]methyl]cyclohexanecarboxamide
CID 66990891
N-benzylcyclopentanecarboxamide
CID 835634
9-amino-N-[[3-(trifluoromethyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983719
1-[(3-thiophen-2-ylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 134797395
N-[[3-(trifluoromethyl)phenyl]methyl]azepane-2-carboxamide
CID 64562207

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentanecarboxamide (CID 129157432) is N-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentanecarboxamide is O=C(NCc1cccc(-c2cc(CF)cc(C(F)(F)F)c2)c1)C1CCCC1.
What is the InChIKey of N-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentanecarboxamide?
The InChIKey is OAZHDFNDGWEANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F4NO/c22-12-15-9-18(11-19(10-15)21(23,24)25)17-7-3-4-14(8-17)13-26-20(27)16-5-1-2-6-16/h3-4,7-11,16H,1-2,5-6,12-13H2,(H,26,27).
What are the key properties of N-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentanecarboxamide?
N-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentanecarboxamide has a molecular weight of 379.40 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 129157432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).