4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide

C14H18BrNO — CID 102850823

IUPAC4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(CC)C(=O)c1ccc(CBr)cc1
InChIInChI=1S/C14H18BrNO/c1-4-16(10-11(2)3)14(17)13-7-5-12(9-15)6-8-13/h5-8H,2,4,9-10H2,1,3H3
InChIKeyUFVSRDGCQCMNPW-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.62
Rot. Bonds5

About 4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide

4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide (PubChem CID 102850823) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide
PubChem CID102850823
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(CC)C(=O)c1ccc(CBr)cc1
InChIInChI=1S/C14H18BrNO/c1-4-16(10-11(2)3)14(17)13-7-5-12(9-15)6-8-13/h5-8H,2,4,9-10H2,1,3H3
InChIKeyUFVSRDGCQCMNPW-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
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

4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 37012021
5-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-carboxylic acid
CID 75356028
3-amino-4-bromo-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 61117454
N-ethyl-N-(2-methylprop-2-enyl)-4-phenylmethoxybenzamide
CID 55370161
N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
CID 113347115
4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide
CID 102851967
N-ethyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylprop-2-enyl)benzamide
CID 134008813
N,N-diethyl-4-(methylsulfanylmethyl)benzamide
CID 60635900
5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide
CID 43424494
N-ethyl-4-[(4-methylphenyl)sulfamoyl]-N-(2-methylprop-2-enyl)benzamide
CID 29265946
4-butyl-N,N-diethylbenzamide
CID 60675001
4-(bromomethyl)-N-methyl-N-pentan-3-ylbenzamide
CID 102851011

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide (CID 102850823) is 4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide is C=C(C)CN(CC)C(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is UFVSRDGCQCMNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-4-16(10-11(2)3)14(17)13-7-5-12(9-15)6-8-13/h5-8H,2,4,9-10H2,1,3H3.
What are the key properties of 4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide?
4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 296.21 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 102850823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).