N-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide

C15H18BrF2NO — CID 106133060

IUPACN-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1F)NCC1CCCC(Br)C1
InChIInChI=1S/C15H18BrF2NO/c16-11-4-1-3-10(7-11)9-19-15(20)8-12-13(17)5-2-6-14(12)18/h2,5-6,10-11H,1,3-4,7-9H2,(H,19,20)
InChIKeyVGWWQHUNTKGJRB-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.58
Rot. Bonds4

About N-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide

N-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide (PubChem CID 106133060) has the molecular formula C15H18BrF2NO and a molecular weight of 346.22 g/mol. Its IUPAC name is N-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide
PubChem CID106133060
Molecular FormulaC15H18BrF2NO
Molecular Weight346.22 g/mol
Exact Mass345.05
IUPAC NameN-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1F)NCC1CCCC(Br)C1
InChIInChI=1S/C15H18BrF2NO/c16-11-4-1-3-10(7-11)9-19-15(20)8-12-13(17)5-2-6-14(12)18/h2,5-6,10-11H,1,3-4,7-9H2,(H,19,20)
InChIKeyVGWWQHUNTKGJRB-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide?
The IUPAC name of N-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide (CID 106133060) is N-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for N-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide?
The canonical SMILES for N-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide is O=C(Cc1c(F)cccc1F)NCC1CCCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide?
The InChIKey is VGWWQHUNTKGJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrF2NO/c16-11-4-1-3-10(7-11)9-19-15(20)8-12-13(17)5-2-6-14(12)18/h2,5-6,10-11H,1,3-4,7-9H2,(H,19,20).
What are the key properties of N-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide?
N-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide has a molecular weight of 346.22 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 106133060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).