N-(5-bromopentan-2-yl)-4-chlorobenzamide

C12H15BrClNO — CID 114316555

IUPACN-(5-bromopentan-2-yl)-4-chlorobenzamide
SMILESCC(CCCBr)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15BrClNO/c1-9(3-2-8-13)15-12(16)10-4-6-11(14)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,15,16)
InChIKeyGXGRQEJKAKSFDX-UHFFFAOYSA-N
MW304.62 g/mol
LogP3.63
Rot. Bonds5

About N-(5-bromopentan-2-yl)-4-chlorobenzamide

N-(5-bromopentan-2-yl)-4-chlorobenzamide (PubChem CID 114316555) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is N-(5-bromopentan-2-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(5-bromopentan-2-yl)-4-chlorobenzamide
PubChem CID114316555
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC NameN-(5-bromopentan-2-yl)-4-chlorobenzamide
SMILESCC(CCCBr)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15BrClNO/c1-9(3-2-8-13)15-12(16)10-4-6-11(14)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,15,16)
InChIKeyGXGRQEJKAKSFDX-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.63
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-(1-bromopropan-2-yl)-4-chlorobenzamide
CID 114310647
N-(5-bromopentan-2-yl)-4-cyanobenzamide
CID 114316388
N-(5-bromopentan-2-yl)-2,5-difluorobenzamide
CID 114316646
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927
4-chloro-N-propan-2-ylbenzamide
CID 24045
N-(4-bromobutan-2-yl)-4-methylbenzamide
CID 83180516
2-bromo-N-(5-bromopentan-2-yl)furan-3-carboxamide
CID 106856170
N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide
CID 114316562
N-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114316446
4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 114305535
N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide
CID 83179376
N-(4-bromobutan-2-yl)-3-chlorobenzamide
CID 83179175

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentan-2-yl)-4-chlorobenzamide?
The IUPAC name of N-(5-bromopentan-2-yl)-4-chlorobenzamide (CID 114316555) is N-(5-bromopentan-2-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(5-bromopentan-2-yl)-4-chlorobenzamide?
The canonical SMILES for N-(5-bromopentan-2-yl)-4-chlorobenzamide is CC(CCCBr)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(5-bromopentan-2-yl)-4-chlorobenzamide?
The InChIKey is GXGRQEJKAKSFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-9(3-2-8-13)15-12(16)10-4-6-11(14)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,15,16).
What are the key properties of N-(5-bromopentan-2-yl)-4-chlorobenzamide?
N-(5-bromopentan-2-yl)-4-chlorobenzamide has a molecular weight of 304.62 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentan-2-yl)-4-chlorobenzamide is sourced from PubChem (CID 114316555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).