2-[[4-cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl]amino]acetamide

C16H18F3N3O2 — CID 18789795

IUPAC2-[[4-cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl]amino]acetamide
SMILESN#CC1(c2ccccc2OC(F)(F)F)CCC(NCC(N)=O)CC1
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)24-13-4-2-1-3-12(13)15(10-20)7-5-11(6-8-15)22-9-14(21)23/h1-4,11,22H,5-9H2,(H2,21,23)
InChIKeyVMXAAZKNQKEQTF-UHFFFAOYSA-N
MW341.33 g/mol
LogP2.36
Rot. Bonds5

About 2-[[4-cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl]amino]acetamide

2-[[4-cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl]amino]acetamide (PubChem CID 18789795) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 2-[[4-cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl]amino]acetamide.

Molecular Properties

Compound Name2-[[4-cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl]amino]acetamide
PubChem CID18789795
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name2-[[4-cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl]amino]acetamide
SMILESN#CC1(c2ccccc2OC(F)(F)F)CCC(NCC(N)=O)CC1
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)24-13-4-2-1-3-12(13)15(10-20)7-5-11(6-8-15)22-9-14(21)23/h1-4,11,22H,5-9H2,(H2,21,23)
InChIKeyVMXAAZKNQKEQTF-UHFFFAOYSA-N
XLogP2.36
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-fluoro-1-[2-[[(1R,3R)-3-[(2-methoxyphenyl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 11602928
1-[2-[[4-[2-(Trifluoromethyl)phenoxy]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 18460906
4-[4-(2-Aminoethylamino)cyclohexyl]-3-(trifluoromethoxy)benzonitrile;hydrochloride
CID 18789778
4-[4-(2-Aminoethylamino)cyclohexyl]-3-(trifluoromethoxy)benzonitrile
CID 18789779
(2S)-N-[(1S)-1-cyano-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]piperidine-2-carboxamide
CID 42641559
(2S)-N-[(1S)-1-cyano-2-[4-(3,5-difluoro-2-methoxyphenyl)phenyl]ethyl]piperidine-2-carboxamide
CID 42642230
N'-[4-[3,4-bis(difluoromethoxy)phenyl]-4-cyanocyclohexyl]oxamide
CID 54073691
N-[(1S)-1-cyano-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]piperidine-2-carboxamide
CID 67268361
2-[3-[4-(Difluoromethoxy)phenyl]propylamino]acetamide
CID 69309822
4-(2-Aminoethylamino)-1-[2-(trifluoromethoxy)phenyl]cyclohexane-1-carbonitrile
CID 70255291
2-[[2-[1-Fluoro-4-(2-methoxyphenyl)cyclohexa-2,5-dien-1-yl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 126740783
N-[(1S)-1-cyano-2-[4-(3,5-difluoro-2-methoxyphenyl)phenyl]ethyl]piperidine-2-carboxamide
CID 140544215

Frequently Asked Questions

What is the IUPAC name of 2-[[4-cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl]amino]acetamide?
The IUPAC name of 2-[[4-cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl]amino]acetamide (CID 18789795) is 2-[[4-cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl]amino]acetamide.
What is the SMILES notation for 2-[[4-cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl]amino]acetamide?
The canonical SMILES for 2-[[4-cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl]amino]acetamide is N#CC1(c2ccccc2OC(F)(F)F)CCC(NCC(N)=O)CC1.
What is the InChIKey of 2-[[4-cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl]amino]acetamide?
The InChIKey is VMXAAZKNQKEQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c17-16(18,19)24-13-4-2-1-3-12(13)15(10-20)7-5-11(6-8-15)22-9-14(21)23/h1-4,11,22H,5-9H2,(H2,21,23).
What are the key properties of 2-[[4-cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl]amino]acetamide?
2-[[4-cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl]amino]acetamide has a molecular weight of 341.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl]amino]acetamide is sourced from PubChem (CID 18789795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).