N-(4-bromobutan-2-yl)-3-chlorobenzamide

C11H13BrClNO — CID 83179175

IUPACN-(4-bromobutan-2-yl)-3-chlorobenzamide
SMILESCC(CCBr)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H13BrClNO/c1-8(5-6-12)14-11(15)9-3-2-4-10(13)7-9/h2-4,7-8H,5-6H2,1H3,(H,14,15)
InChIKeyQTRPCHUMUKMCGW-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.24
Rot. Bonds4

About N-(4-bromobutan-2-yl)-3-chlorobenzamide

N-(4-bromobutan-2-yl)-3-chlorobenzamide (PubChem CID 83179175) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is N-(4-bromobutan-2-yl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(4-bromobutan-2-yl)-3-chlorobenzamide
PubChem CID83179175
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC NameN-(4-bromobutan-2-yl)-3-chlorobenzamide
SMILESCC(CCBr)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H13BrClNO/c1-8(5-6-12)14-11(15)9-3-2-4-10(13)7-9/h2-4,7-8H,5-6H2,1H3,(H,14,15)
InChIKeyQTRPCHUMUKMCGW-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.24
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

3-chloro-N-(5-chloropentan-2-yl)benzamide
CID 114305976
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
3-chloro-N-[(2S)-4-methylsulfonylbutan-2-yl]benzamide
CID 70987923
3-chloro-N-propan-2-ylbenzamide
CID 669184
3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide
CID 107941338
N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180357
N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide
CID 83179376
3-chloro-N-(3-oxobutan-2-yl)benzamide
CID 64997142
N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
CID 42427435
3-chloro-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2330910
N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide
CID 54104367
N-(4-bromobutan-2-yl)-4-fluoro-3-methylbenzamide
CID 83178455

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutan-2-yl)-3-chlorobenzamide?
The IUPAC name of N-(4-bromobutan-2-yl)-3-chlorobenzamide (CID 83179175) is N-(4-bromobutan-2-yl)-3-chlorobenzamide.
What is the SMILES notation for N-(4-bromobutan-2-yl)-3-chlorobenzamide?
The canonical SMILES for N-(4-bromobutan-2-yl)-3-chlorobenzamide is CC(CCBr)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(4-bromobutan-2-yl)-3-chlorobenzamide?
The InChIKey is QTRPCHUMUKMCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-8(5-6-12)14-11(15)9-3-2-4-10(13)7-9/h2-4,7-8H,5-6H2,1H3,(H,14,15).
What are the key properties of N-(4-bromobutan-2-yl)-3-chlorobenzamide?
N-(4-bromobutan-2-yl)-3-chlorobenzamide has a molecular weight of 290.59 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutan-2-yl)-3-chlorobenzamide is sourced from PubChem (CID 83179175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).