2-(2-bromo-4-methylphenoxy)-N-(1-cyanocyclopentyl)propanamide

C16H19BrN2O2 — CID 87017606

IUPAC2-(2-bromo-4-methylphenoxy)-N-(1-cyanocyclopentyl)propanamide
SMILESCc1ccc(OC(C)C(=O)NC2(C#N)CCCC2)c(Br)c1
InChIInChI=1S/C16H19BrN2O2/c1-11-5-6-14(13(17)9-11)21-12(2)15(20)19-16(10-18)7-3-4-8-16/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeySJMQMERIOSOPIX-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.48
Rot. Bonds4

About 2-(2-bromo-4-methylphenoxy)-N-(1-cyanocyclopentyl)propanamide

2-(2-bromo-4-methylphenoxy)-N-(1-cyanocyclopentyl)propanamide (PubChem CID 87017606) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(1-cyanocyclopentyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(1-cyanocyclopentyl)propanamide
PubChem CID87017606
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(1-cyanocyclopentyl)propanamide
SMILESCc1ccc(OC(C)C(=O)NC2(C#N)CCCC2)c(Br)c1
InChIInChI=1S/C16H19BrN2O2/c1-11-5-6-14(13(17)9-11)21-12(2)15(20)19-16(10-18)7-3-4-8-16/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeySJMQMERIOSOPIX-UHFFFAOYSA-N
XLogP3.48
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)propanamide
CID 17474380
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7568258
N-(1-cyanocyclohexyl)-2-methoxypropanamide
CID 112685947
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-amino-5-bromobenzoate
CID 7149283
2-(2-bromo-4-methylphenoxy)-N-(3-hydroxypropyl)propanamide
CID 78888648
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide
CID 120508965
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 8708866
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 8708865
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate
CID 8763963
[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate
CID 16524622

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(1-cyanocyclopentyl)propanamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(1-cyanocyclopentyl)propanamide (CID 87017606) is 2-(2-bromo-4-methylphenoxy)-N-(1-cyanocyclopentyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(1-cyanocyclopentyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(1-cyanocyclopentyl)propanamide is Cc1ccc(OC(C)C(=O)NC2(C#N)CCCC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(1-cyanocyclopentyl)propanamide?
The InChIKey is SJMQMERIOSOPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-11-5-6-14(13(17)9-11)21-12(2)15(20)19-16(10-18)7-3-4-8-16/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(1-cyanocyclopentyl)propanamide?
2-(2-bromo-4-methylphenoxy)-N-(1-cyanocyclopentyl)propanamide has a molecular weight of 351.24 g/mol, XLogP of 3.48, 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-methylphenoxy)-N-(1-cyanocyclopentyl)propanamide is sourced from PubChem (CID 87017606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).