2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide

C15H16BrFN2O2 — CID 30032881

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide
SMILESN#CC1(NC(=O)COc2ccc(F)cc2Br)CCCCC1
InChIInChI=1S/C15H16BrFN2O2/c16-12-8-11(17)4-5-13(12)21-9-14(20)19-15(10-18)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,19,20)
InChIKeyVSCOUMGPTQLMKH-UHFFFAOYSA-N
MW355.21 g/mol
LogP3.31
Rot. Bonds4

About 2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide

2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide (PubChem CID 30032881) has the molecular formula C15H16BrFN2O2 and a molecular weight of 355.21 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide
PubChem CID30032881
Molecular FormulaC15H16BrFN2O2
Molecular Weight355.21 g/mol
Exact Mass354.04
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide
SMILESN#CC1(NC(=O)COc2ccc(F)cc2Br)CCCCC1
InChIInChI=1S/C15H16BrFN2O2/c16-12-8-11(17)4-5-13(12)21-9-14(20)19-15(10-18)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,19,20)
InChIKeyVSCOUMGPTQLMKH-UHFFFAOYSA-N
XLogP3.31
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79844426
2-(2-bromo-4-fluorophenoxy)-N-cyanoacetamide
CID 79194674
2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]benzoic acid
CID 45394212
2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide
CID 7434176
2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751339
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 42980138
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide
CID 8807860
2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 107845477
2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014344
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-bromobenzoate
CID 7476853
2-(2-bromo-4-fluorophenoxy)-N-prop-2-ynylacetamide
CID 18109952

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide (CID 30032881) is 2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide is N#CC1(NC(=O)COc2ccc(F)cc2Br)CCCCC1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide?
The InChIKey is VSCOUMGPTQLMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O2/c16-12-8-11(17)4-5-13(12)21-9-14(20)19-15(10-18)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,19,20).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide?
2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide has a molecular weight of 355.21 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide is sourced from PubChem (CID 30032881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).