2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide

C14H18BrNO — CID 115702280

IUPAC2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide
SMILESC=CCCCN(C)C(=O)c1cc(C)ccc1Br
InChIInChI=1S/C14H18BrNO/c1-4-5-6-9-16(3)14(17)12-10-11(2)7-8-13(12)15/h4,7-8,10H,1,5-6,9H2,2-3H3
InChIKeyPVDRJYSGSOCLSB-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.80
Rot. Bonds5

About 2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide

2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide (PubChem CID 115702280) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide.

Molecular Properties

Compound Name2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide
PubChem CID115702280
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide
SMILESC=CCCCN(C)C(=O)c1cc(C)ccc1Br
InChIInChI=1S/C14H18BrNO/c1-4-5-6-9-16(3)14(17)12-10-11(2)7-8-13(12)15/h4,7-8,10H,1,5-6,9H2,2-3H3
InChIKeyPVDRJYSGSOCLSB-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-bromoethyl)-N,5-dimethylbenzamide
CID 81117833
2-bromo-N-(3-methoxypropyl)-N,5-dimethylbenzamide
CID 80992265
2-bromo-N-(2-cyanoethyl)-N,5-dimethylbenzamide
CID 80977004
2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
CID 115968411
N,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide
CID 115640375
2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide
CID 80980455
3,5-dibromo-N-methyl-N-pent-4-enylbenzamide
CID 103908739
N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide
CID 115317454
5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide
CID 115640332
2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide
CID 81117729
2-bromo-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,5-dimethylbenzamide
CID 100681249
2-bromo-N,N-bis(2-hydroxyethyl)-5-methylbenzamide
CID 81109663

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide?
The IUPAC name of 2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide (CID 115702280) is 2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide.
What is the SMILES notation for 2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide?
The canonical SMILES for 2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide is C=CCCCN(C)C(=O)c1cc(C)ccc1Br.
What is the InChIKey of 2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide?
The InChIKey is PVDRJYSGSOCLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-4-5-6-9-16(3)14(17)12-10-11(2)7-8-13(12)15/h4,7-8,10H,1,5-6,9H2,2-3H3.
What are the key properties of 2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide?
2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide has a molecular weight of 296.21 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide is sourced from PubChem (CID 115702280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).