N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide

C14H19BrClNO — CID 106169565

IUPACN-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide
SMILESCCC(C)(CCBr)NC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C14H19BrClNO/c1-4-14(3,7-8-15)17-13(18)11-6-5-10(2)9-12(11)16/h5-6,9H,4,7-8H2,1-3H3,(H,17,18)
InChIKeyGBSGPCHDPKKBMY-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.33
Rot. Bonds5

About N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide

N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide (PubChem CID 106169565) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide
PubChem CID106169565
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide
SMILESCCC(C)(CCBr)NC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C14H19BrClNO/c1-4-14(3,7-8-15)17-13(18)11-6-5-10(2)9-12(11)16/h5-6,9H,4,7-8H2,1-3H3,(H,17,18)
InChIKeyGBSGPCHDPKKBMY-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.33
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

2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide
CID 106863915
4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide
CID 106169569
N-(1-bromo-3-methylpentan-3-yl)-2,5-dichlorothiophene-3-carboxamide
CID 106169060
3-bromo-N-(1-bromo-3-methylpentan-3-yl)-4-chlorobenzamide
CID 106169560
3-bromo-N-(1-bromo-3-methylpentan-3-yl)-5-chlorobenzamide
CID 106169473
N-(1-bromo-2-phenylpropan-2-yl)-2-chloro-4-methylbenzamide
CID 106864081
2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303802
N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
CID 106168405
N-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 114153294
5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide
CID 114314430
4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549490
2-chloro-N,4-dimethylbenzamide;ethane
CID 143942674

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide (CID 106169565) is N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide is CCC(C)(CCBr)NC(=O)c1ccc(C)cc1Cl.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide?
The InChIKey is GBSGPCHDPKKBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-4-14(3,7-8-15)17-13(18)11-6-5-10(2)9-12(11)16/h5-6,9H,4,7-8H2,1-3H3,(H,17,18).
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide?
N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide has a molecular weight of 332.67 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide is sourced from PubChem (CID 106169565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).