N-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide

C13H18BrNO — CID 80661347

IUPACN-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide
SMILESCCN(CCBr)C(=O)c1ccc(C)cc1C
InChIInChI=1S/C13H18BrNO/c1-4-15(8-7-14)13(16)12-6-5-10(2)9-11(12)3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyNUZKQRYRBUUNJH-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.16
Rot. Bonds4

About N-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide

N-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide (PubChem CID 80661347) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide
PubChem CID80661347
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide
SMILESCCN(CCBr)C(=O)c1ccc(C)cc1C
InChIInChI=1S/C13H18BrNO/c1-4-15(8-7-14)13(16)12-6-5-10(2)9-11(12)3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyNUZKQRYRBUUNJH-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate
CID 54979100
N-ethyl-N,2,4-trimethylbenzamide
CID 59887663
N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide
CID 80661130
N-(2-aminoethyl)-2,4-dimethyl-N-propylbenzamide
CID 61349150
N-(2-bromoethyl)-N-ethyl-2-hydroxy-3-methylbenzamide
CID 80660648
N-(2-bromoethyl)-N-butyl-4-chloro-2-methylbenzamide
CID 114028179
N-ethyl-2-fluoro-4-methyl-N-propylbenzamide
CID 79779356
2-amino-N-ethyl-5-methyl-N-propylbenzamide
CID 62511065
N,N-bis(2-cyanoethyl)-2,4-dimethylbenzamide
CID 51180457
3-[(4-bromo-2-methylbenzoyl)-ethylamino]propanoic acid
CID 54898490
N,N-diethyl-4-hydroxy-2-methylbenzamide
CID 103863610

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide?
The IUPAC name of N-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide (CID 80661347) is N-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide.
What is the SMILES notation for N-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide?
The canonical SMILES for N-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide is CCN(CCBr)C(=O)c1ccc(C)cc1C.
What is the InChIKey of N-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide?
The InChIKey is NUZKQRYRBUUNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-4-15(8-7-14)13(16)12-6-5-10(2)9-11(12)3/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide?
N-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide has a molecular weight of 284.20 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide is sourced from PubChem (CID 80661347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).