2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide

C14H18BrCl2NO — CID 106254174

IUPAC2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide
SMILESCCC(CC)(CCl)CNC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H18BrCl2NO/c1-3-14(4-2,8-16)9-18-13(19)11-7-10(17)5-6-12(11)15/h5-7H,3-4,8-9H2,1-2H3,(H,18,19)
InChIKeyFREBBAKQVYLWBR-UHFFFAOYSA-N
MW367.11 g/mol
LogP4.88
Rot. Bonds6

About 2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide

2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide (PubChem CID 106254174) has the molecular formula C14H18BrCl2NO and a molecular weight of 367.11 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide
PubChem CID106254174
Molecular FormulaC14H18BrCl2NO
Molecular Weight367.11 g/mol
Exact Mass364.99
IUPAC Name2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide
SMILESCCC(CC)(CCl)CNC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H18BrCl2NO/c1-3-14(4-2,8-16)9-18-13(19)11-7-10(17)5-6-12(11)15/h5-7H,3-4,8-9H2,1-2H3,(H,18,19)
InChIKeyFREBBAKQVYLWBR-UHFFFAOYSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.11
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide
CID 106253885
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
2-bromo-5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899354
2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 104625413
5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide
CID 106253138
2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 107994084
2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508533
N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide
CID 114164499
2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
2-amino-5-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103459946
N-(2-amino-2-ethylbutyl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119642321
2-[[(2-bromo-4-chlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 107986918

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide?
The IUPAC name of 2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide (CID 106254174) is 2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide is CCC(CC)(CCl)CNC(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide?
The InChIKey is FREBBAKQVYLWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrCl2NO/c1-3-14(4-2,8-16)9-18-13(19)11-7-10(17)5-6-12(11)15/h5-7H,3-4,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide?
2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide has a molecular weight of 367.11 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide is sourced from PubChem (CID 106254174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).