2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide

C14H17Br2NO — CID 81117729

IUPAC2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide
SMILESCc1ccc(Br)c(C(=O)N(C)CC2CC(Br)C2)c1
InChIInChI=1S/C14H17Br2NO/c1-9-3-4-13(16)12(5-9)14(18)17(2)8-10-6-11(15)7-10/h3-5,10-11H,6-8H2,1-2H3
InChIKeySKYULBZXYNOCCJ-UHFFFAOYSA-N
MW375.10 g/mol
LogP4.00
Rot. Bonds3

About 2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide

2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide (PubChem CID 81117729) has the molecular formula C14H17Br2NO and a molecular weight of 375.10 g/mol. Its IUPAC name is 2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide
PubChem CID81117729
Molecular FormulaC14H17Br2NO
Molecular Weight375.10 g/mol
Exact Mass372.97
IUPAC Name2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide
SMILESCc1ccc(Br)c(C(=O)N(C)CC2CC(Br)C2)c1
InChIInChI=1S/C14H17Br2NO/c1-9-3-4-13(16)12(5-9)14(18)17(2)8-10-6-11(15)7-10/h3-5,10-11H,6-8H2,1-2H3
InChIKeySKYULBZXYNOCCJ-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.10
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide 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

2-bromo-N-[(3-bromocyclobutyl)methyl]-5-iodo-N-methylbenzamide
CID 114026531
N-[(3-bromocyclobutyl)methyl]-2-hydroxy-N,4-dimethylbenzamide
CID 80672604
2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide
CID 81002456
2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607476
4-bromo-N-[(3-bromocyclobutyl)methyl]-2-fluoro-N-methylbenzamide
CID 80673461
2-bromo-N-[(3-hydroxycyclobutyl)methyl]-5-iodo-N-methylbenzamide
CID 102808059
2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
CID 115968411
N-[(3-bromocyclobutyl)methyl]-N,2,4,6-tetramethylbenzamide
CID 80672182
2-bromo-N-(2-bromoethyl)-N,5-dimethylbenzamide
CID 81117833
2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide
CID 80980455
2-bromo-N-(2-cyanoethyl)-N,5-dimethylbenzamide
CID 80977004
6-bromo-N-[(3-bromocyclobutyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 115354532

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide?
The IUPAC name of 2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide (CID 81117729) is 2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide.
What is the SMILES notation for 2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide?
The canonical SMILES for 2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide is Cc1ccc(Br)c(C(=O)N(C)CC2CC(Br)C2)c1.
What is the InChIKey of 2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide?
The InChIKey is SKYULBZXYNOCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO/c1-9-3-4-13(16)12(5-9)14(18)17(2)8-10-6-11(15)7-10/h3-5,10-11H,6-8H2,1-2H3.
What are the key properties of 2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide?
2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide has a molecular weight of 375.10 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide is sourced from PubChem (CID 81117729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).