2-(4-bromo-2,6-difluoroanilino)cyclopentane-1-carbonitrile

C12H11BrF2N2 — CID 65467072

IUPAC2-(4-bromo-2,6-difluoroanilino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H11BrF2N2/c13-8-4-9(14)12(10(15)5-8)17-11-3-1-2-7(11)6-16/h4-5,7,11,17H,1-3H2
InChIKeyHNFMSINNZRMRMB-UHFFFAOYSA-N
MW301.13 g/mol
LogP3.83
Rot. Bonds2

About 2-(4-bromo-2,6-difluoroanilino)cyclopentane-1-carbonitrile

2-(4-bromo-2,6-difluoroanilino)cyclopentane-1-carbonitrile (PubChem CID 65467072) has the molecular formula C12H11BrF2N2 and a molecular weight of 301.13 g/mol. Its IUPAC name is 2-(4-bromo-2,6-difluoroanilino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-bromo-2,6-difluoroanilino)cyclopentane-1-carbonitrile
PubChem CID65467072
Molecular FormulaC12H11BrF2N2
Molecular Weight301.13 g/mol
Exact Mass300.01
IUPAC Name2-(4-bromo-2,6-difluoroanilino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H11BrF2N2/c13-8-4-9(14)12(10(15)5-8)17-11-3-1-2-7(11)6-16/h4-5,7,11,17H,1-3H2
InChIKeyHNFMSINNZRMRMB-UHFFFAOYSA-N
XLogP3.83
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-difluoroanilino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(4-bromo-2,6-difluoroanilino)cyclopentane-1-carbonitrile (CID 65467072) is 2-(4-bromo-2,6-difluoroanilino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(4-bromo-2,6-difluoroanilino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(4-bromo-2,6-difluoroanilino)cyclopentane-1-carbonitrile is N#CC1CCCC1Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2,6-difluoroanilino)cyclopentane-1-carbonitrile?
The InChIKey is HNFMSINNZRMRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF2N2/c13-8-4-9(14)12(10(15)5-8)17-11-3-1-2-7(11)6-16/h4-5,7,11,17H,1-3H2.
What are the key properties of 2-(4-bromo-2,6-difluoroanilino)cyclopentane-1-carbonitrile?
2-(4-bromo-2,6-difluoroanilino)cyclopentane-1-carbonitrile has a molecular weight of 301.13 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-difluoroanilino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 65467072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).