2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide

C13H14BrCl2NO — CID 114025196

IUPAC2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide
SMILESCN(CC1CC(Cl)C1)C(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H14BrCl2NO/c1-17(7-8-4-10(16)5-8)13(18)11-3-2-9(15)6-12(11)14/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyAEYFQCRXIGINMR-UHFFFAOYSA-N
MW351.07 g/mol
LogP4.19
Rot. Bonds3

About 2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide

2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide (PubChem CID 114025196) has the molecular formula C13H14BrCl2NO and a molecular weight of 351.07 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide
PubChem CID114025196
Molecular FormulaC13H14BrCl2NO
Molecular Weight351.07 g/mol
Exact Mass348.96
IUPAC Name2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide
SMILESCN(CC1CC(Cl)C1)C(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H14BrCl2NO/c1-17(7-8-4-10(16)5-8)13(18)11-3-2-9(15)6-12(11)14/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyAEYFQCRXIGINMR-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.07
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107988270
2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 113257549
4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide
CID 113296210
2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 103840263
2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
CID 103882559
3,5-dibromo-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide
CID 107974843
4-bromo-N-[(3-bromocyclobutyl)methyl]-2-fluoro-N-methylbenzamide
CID 80673461
2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide
CID 81117729
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-bromo-4-chloro-N-methylbenzamide
CID 107992431
2-bromo-N-[(3-bromocyclobutyl)methyl]-5-iodo-N-methylbenzamide
CID 114026531
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
2-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 103805865

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide?
The IUPAC name of 2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide (CID 114025196) is 2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide is CN(CC1CC(Cl)C1)C(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide?
The InChIKey is AEYFQCRXIGINMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrCl2NO/c1-17(7-8-4-10(16)5-8)13(18)11-3-2-9(15)6-12(11)14/h2-3,6,8,10H,4-5,7H2,1H3.
What are the key properties of 2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide?
2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide has a molecular weight of 351.07 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 114025196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).