1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide

C14H13F3N2O2 — CID 31841999

IUPAC1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cccc(OC(F)(F)F)c2)CCCC1
InChIInChI=1S/C14H13F3N2O2/c15-14(16,17)21-11-5-3-4-10(8-11)19-12(20)13(9-18)6-1-2-7-13/h3-5,8H,1-2,6-7H2,(H,19,20)
InChIKeyRHPXTPHRRUGHFN-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.61
Rot. Bonds3

About 1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide

1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide (PubChem CID 31841999) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
PubChem CID31841999
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cccc(OC(F)(F)F)c2)CCCC1
InChIInChI=1S/C14H13F3N2O2/c15-14(16,17)21-11-5-3-4-10(8-11)19-12(20)13(9-18)6-1-2-7-13/h3-5,8H,1-2,6-7H2,(H,19,20)
InChIKeyRHPXTPHRRUGHFN-UHFFFAOYSA-N
XLogP3.61
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 60867410
3-[(1-cyanocyclopentanecarbonyl)amino]benzamide
CID 51246637
1-carbamothioyl-N-[3-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 80591887
1-cyano-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 55021433
ethyl 3-[(1-cyanocyclohexanecarbonyl)amino]benzoate
CID 60584377
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
methyl 3-[2-[3-[(1-cyanocyclopentanecarbonyl)amino]phenyl]ethynyl]benzoate
CID 38162313
1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 80599319
1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 122134935
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]oxane-4-carboxamide
CID 120921235
2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid
CID 119224839
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide (CID 31841999) is 1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide is N#CC1(C(=O)Nc2cccc(OC(F)(F)F)c2)CCCC1.
What is the InChIKey of 1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide?
The InChIKey is RHPXTPHRRUGHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c15-14(16,17)21-11-5-3-4-10(8-11)19-12(20)13(9-18)6-1-2-7-13/h3-5,8H,1-2,6-7H2,(H,19,20).
What are the key properties of 1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide?
1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide has a molecular weight of 298.26 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 31841999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).