5-bromo-N-(3-cyanophenyl)-N-methylpentanamide

C13H15BrN2O — CID 107910030

IUPAC5-bromo-N-(3-cyanophenyl)-N-methylpentanamide
SMILESCN(C(=O)CCCCBr)c1cccc(C#N)c1
InChIInChI=1S/C13H15BrN2O/c1-16(13(17)7-2-3-8-14)12-6-4-5-11(9-12)10-15/h4-6,9H,2-3,7-8H2,1H3
InChIKeyLZPDPTMWIAIWNJ-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.09
Rot. Bonds5

About 5-bromo-N-(3-cyanophenyl)-N-methylpentanamide

5-bromo-N-(3-cyanophenyl)-N-methylpentanamide (PubChem CID 107910030) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-N-(3-cyanophenyl)-N-methylpentanamide.

Molecular Properties

Compound Name5-bromo-N-(3-cyanophenyl)-N-methylpentanamide
PubChem CID107910030
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name5-bromo-N-(3-cyanophenyl)-N-methylpentanamide
SMILESCN(C(=O)CCCCBr)c1cccc(C#N)c1
InChIInChI=1S/C13H15BrN2O/c1-16(13(17)7-2-3-8-14)12-6-4-5-11(9-12)10-15/h4-6,9H,2-3,7-8H2,1H3
InChIKeyLZPDPTMWIAIWNJ-UHFFFAOYSA-N
XLogP3.09
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 62983019
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N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide
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N-(3-cyanophenyl)-N,4-dimethylpentanamide
CID 60588260
N-(3-bromopropyl)-3-cyano-N-methylbenzamide
CID 106441259
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CID 60616456
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969
4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide
CID 52822955
3-[[(3-cyanophenyl)-methylcarbamoyl]-methylamino]propanoic acid
CID 62981867
N-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
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CID 62982489

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-cyanophenyl)-N-methylpentanamide?
The IUPAC name of 5-bromo-N-(3-cyanophenyl)-N-methylpentanamide (CID 107910030) is 5-bromo-N-(3-cyanophenyl)-N-methylpentanamide.
What is the SMILES notation for 5-bromo-N-(3-cyanophenyl)-N-methylpentanamide?
The canonical SMILES for 5-bromo-N-(3-cyanophenyl)-N-methylpentanamide is CN(C(=O)CCCCBr)c1cccc(C#N)c1.
What is the InChIKey of 5-bromo-N-(3-cyanophenyl)-N-methylpentanamide?
The InChIKey is LZPDPTMWIAIWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-16(13(17)7-2-3-8-14)12-6-4-5-11(9-12)10-15/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of 5-bromo-N-(3-cyanophenyl)-N-methylpentanamide?
5-bromo-N-(3-cyanophenyl)-N-methylpentanamide has a molecular weight of 295.18 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-cyanophenyl)-N-methylpentanamide is sourced from PubChem (CID 107910030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).