4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide

C14H18BrNO — CID 102851967

IUPAC4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide
SMILESC=CCN(CCC)C(=O)c1ccc(CBr)cc1
InChIInChI=1S/C14H18BrNO/c1-3-9-16(10-4-2)14(17)13-7-5-12(11-15)6-8-13/h3,5-8H,1,4,9-11H2,2H3
InChIKeyLESSENAYEXOYSQ-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.62
Rot. Bonds6

About 4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide

4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide (PubChem CID 102851967) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide
PubChem CID102851967
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide
SMILESC=CCN(CCC)C(=O)c1ccc(CBr)cc1
InChIInChI=1S/C14H18BrNO/c1-3-9-16(10-4-2)14(17)13-7-5-12(11-15)6-8-13/h3,5-8H,1,4,9-11H2,2H3
InChIKeyLESSENAYEXOYSQ-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-m-toluamide
CID 4284
N,N-Diethylbenzamide
CID 15542
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzoylpiperidine
CID 69892
2-Methyl-N,N-diethylbenzamide
CID 75945
N-Propylbenzamide
CID 25354
N-Ethylbenzamide
CID 11959
N,N-Dimethylbenzamide
CID 11916
N-Butylbenzamide
CID 76024
N,N-Diethyl-p-toluamide
CID 75946
3-bromo-N-propylbenzamide
CID 3118655
N-(2-(Diethylamino)ethyl)benzamide
CID 19400

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide?
The IUPAC name of 4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide (CID 102851967) is 4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide.
What is the SMILES notation for 4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide?
The canonical SMILES for 4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide is C=CCN(CCC)C(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide?
The InChIKey is LESSENAYEXOYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-3-9-16(10-4-2)14(17)13-7-5-12(11-15)6-8-13/h3,5-8H,1,4,9-11H2,2H3.
What are the key properties of 4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide?
4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide has a molecular weight of 296.21 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide is sourced from PubChem (CID 102851967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).