N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide

C14H19BrClNO — CID 106254725

IUPACN-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide
SMILESCCC(CC)(CBr)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C14H19BrClNO/c1-3-14(4-2,9-15)10-17-13(18)11-7-5-6-8-12(11)16/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyXYNJATSGDOKCIZ-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.27
Rot. Bonds6

About N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide

N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide (PubChem CID 106254725) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide
PubChem CID106254725
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC NameN-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide
SMILESCCC(CC)(CBr)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C14H19BrClNO/c1-3-14(4-2,9-15)10-17-13(18)11-7-5-6-8-12(11)16/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyXYNJATSGDOKCIZ-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.27
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
2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide
CID 106254833
N-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide
CID 106254903
N-(2-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119630194
N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-3-methylbenzamide
CID 106255744
2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106249355
N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide
CID 106255094
N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide
CID 106255574
2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66170217
N-[2-(bromomethyl)-2-ethylbutyl]-4-fluorobenzamide
CID 114164806
5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide
CID 106255667
N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluoro-5-methylbenzamide
CID 106254991

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide?
The IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide (CID 106254725) is N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide is CCC(CC)(CBr)CNC(=O)c1ccccc1Cl.
What is the InChIKey of N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide?
The InChIKey is XYNJATSGDOKCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-3-14(4-2,9-15)10-17-13(18)11-7-5-6-8-12(11)16/h5-8H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide?
N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide has a molecular weight of 332.67 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide is sourced from PubChem (CID 106254725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).