1-(4-bromoanilino)cyclohexane-1-carbonitrile

C13H15BrN2 — CID 775982

IUPAC1-(4-bromoanilino)cyclohexane-1-carbonitrile
SMILESN#CC1(Nc2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C13H15BrN2/c14-11-4-6-12(7-5-11)16-13(10-15)8-2-1-3-9-13/h4-7,16H,1-3,8-9H2
InChIKeyGHSVLMPBBRJBIR-UHFFFAOYSA-N
MW279.18 g/mol
LogP4.09
Rot. Bonds2

About 1-(4-bromoanilino)cyclohexane-1-carbonitrile

1-(4-bromoanilino)cyclohexane-1-carbonitrile (PubChem CID 775982) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 1-(4-bromoanilino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-bromoanilino)cyclohexane-1-carbonitrile
PubChem CID775982
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name1-(4-bromoanilino)cyclohexane-1-carbonitrile
SMILESN#CC1(Nc2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C13H15BrN2/c14-11-4-6-12(7-5-11)16-13(10-15)8-2-1-3-9-13/h4-7,16H,1-3,8-9H2
InChIKeyGHSVLMPBBRJBIR-UHFFFAOYSA-N
XLogP4.09
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromoanilino)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(4-bromoanilino)cyclohexane-1-carbonitrile (CID 775982) is 1-(4-bromoanilino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(4-bromoanilino)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(4-bromoanilino)cyclohexane-1-carbonitrile is N#CC1(Nc2ccc(Br)cc2)CCCCC1.
What is the InChIKey of 1-(4-bromoanilino)cyclohexane-1-carbonitrile?
The InChIKey is GHSVLMPBBRJBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c14-11-4-6-12(7-5-11)16-13(10-15)8-2-1-3-9-13/h4-7,16H,1-3,8-9H2.
What are the key properties of 1-(4-bromoanilino)cyclohexane-1-carbonitrile?
1-(4-bromoanilino)cyclohexane-1-carbonitrile has a molecular weight of 279.18 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromoanilino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 775982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).