2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide

C15H21Br2NO — CID 106254833

IUPAC2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide
SMILESCCC(CC)(CBr)CNC(=O)c1cccc(C)c1Br
InChIInChI=1S/C15H21Br2NO/c1-4-15(5-2,9-16)10-18-14(19)12-8-6-7-11(3)13(12)17/h6-8H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyYUCGEZMNSNNKFK-UHFFFAOYSA-N
MW391.15 g/mol
LogP4.69
Rot. Bonds6

About 2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide

2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide (PubChem CID 106254833) has the molecular formula C15H21Br2NO and a molecular weight of 391.15 g/mol. Its IUPAC name is 2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide
PubChem CID106254833
Molecular FormulaC15H21Br2NO
Molecular Weight391.15 g/mol
Exact Mass389.00
IUPAC Name2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide
SMILESCCC(CC)(CBr)CNC(=O)c1cccc(C)c1Br
InChIInChI=1S/C15H21Br2NO/c1-4-15(5-2,9-16)10-18-14(19)12-8-6-7-11(3)13(12)17/h6-8H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyYUCGEZMNSNNKFK-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.15
LogP ≤ 54.69
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

N-[2-(bromomethyl)-2-ethylbutyl]-2-chloro-3-methylbenzamide
CID 114164820
N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide
CID 106254725
ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate
CID 103853398
2-[(2-bromo-3-methylbenzoyl)amino]acetic acid
CID 106703070
N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluoro-5-methylbenzamide
CID 106254991
2-bromo-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 113338730
2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide
CID 107983088
2-bromo-N-(2-bromo-4,4-dimethylpentyl)-3-methylbenzamide
CID 107984077
2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide
CID 113372142
N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide
CID 106255574
N-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide
CID 106254903
4-[(2-bromo-3-methylbenzoyl)amino]-2-methylbutanoic acid
CID 114023739

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide?
The IUPAC name of 2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide (CID 106254833) is 2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide is CCC(CC)(CBr)CNC(=O)c1cccc(C)c1Br.
What is the InChIKey of 2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide?
The InChIKey is YUCGEZMNSNNKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO/c1-4-15(5-2,9-16)10-18-14(19)12-8-6-7-11(3)13(12)17/h6-8H,4-5,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide?
2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide has a molecular weight of 391.15 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide is sourced from PubChem (CID 106254833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).