1-cyano-N-[[2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide

C15H16F2N2O2 — CID 51321565

IUPAC1-cyano-N-[[2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCc2ccccc2OC(F)F)CCCC1
InChIInChI=1S/C15H16F2N2O2/c16-14(17)21-12-6-2-1-5-11(12)9-19-13(20)15(10-18)7-3-4-8-15/h1-2,5-6,14H,3-4,7-9H2,(H,19,20)
InChIKeyWARJTLITHXRJMY-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.99
Rot. Bonds5

About 1-cyano-N-[[2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide

1-cyano-N-[[2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 51321565) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-cyano-N-[[2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[[2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID51321565
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name1-cyano-N-[[2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCc2ccccc2OC(F)F)CCCC1
InChIInChI=1S/C15H16F2N2O2/c16-14(17)21-12-6-2-1-5-11(12)9-19-13(20)15(10-18)7-3-4-8-15/h1-2,5-6,14H,3-4,7-9H2,(H,19,20)
InChIKeyWARJTLITHXRJMY-UHFFFAOYSA-N
XLogP2.99
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 110908761
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430390
N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119700383
1-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 47085091
1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 51090126
N-[(5-chloro-2-fluorophenyl)methyl]-1-cyanocyclobutane-1-carboxamide
CID 115183319
1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide
CID 47162656
3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
CID 86915882
N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide
CID 51129432
N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide
CID 47121122
2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea
CID 83109474
1-cyano-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 60584154

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[[2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[[2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide (CID 51321565) is 1-cyano-N-[[2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[[2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[[2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide is N#CC1(C(=O)NCc2ccccc2OC(F)F)CCCC1.
What is the InChIKey of 1-cyano-N-[[2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is WARJTLITHXRJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c16-14(17)21-12-6-2-1-5-11(12)9-19-13(20)15(10-18)7-3-4-8-15/h1-2,5-6,14H,3-4,7-9H2,(H,19,20).
What are the key properties of 1-cyano-N-[[2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
1-cyano-N-[[2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 294.30 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[[2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 51321565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).