N-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide

C14H19BrClNO — CID 106254903

IUPACN-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide
SMILESCCC(CC)(CBr)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H19BrClNO/c1-3-14(4-2,9-15)10-17-13(18)11-6-5-7-12(16)8-11/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyLLKVSKAEFGOYQL-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.27
Rot. Bonds6

About N-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide

N-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide (PubChem CID 106254903) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is N-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide
PubChem CID106254903
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC NameN-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide
SMILESCCC(CC)(CBr)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H19BrClNO/c1-3-14(4-2,9-15)10-17-13(18)11-6-5-7-12(16)8-11/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyLLKVSKAEFGOYQL-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'}

Analyze N-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-3-methylbenzamide
CID 106255744
N-(4-bromo-2,2-dimethylbutyl)-3-chlorobenzamide
CID 106143855
N-[2-(bromomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide
CID 114164719
N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide
CID 106254725
N-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide
CID 106255765
N-[2-(bromomethyl)-2-ethylbutyl]-2-chloro-3-methylbenzamide
CID 114164820
N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide
CID 106255094
N-[2-(bromomethyl)-2-ethylbutyl]-4-fluorobenzamide
CID 114164806
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291527
N-[2-(bromomethyl)-2-ethylbutyl]-3-methoxy-4-methylbenzamide
CID 106255437
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
N-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide
CID 114383601

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide?
The IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide (CID 106254903) is N-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide.
What is the SMILES notation for N-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide?
The canonical SMILES for N-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide is CCC(CC)(CBr)CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide?
The InChIKey is LLKVSKAEFGOYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-3-14(4-2,9-15)10-17-13(18)11-6-5-7-12(16)8-11/h5-8H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide?
N-[2-(bromomethyl)-2-ethylbutyl]-3-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]-3-chlorobenzamide is sourced from PubChem (CID 106254903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).