5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide

C13H14Br2ClNO — CID 114758312

IUPAC5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide
SMILESO=C(NCC1(CCBr)CC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H14Br2ClNO/c14-6-5-13(3-4-13)8-17-12(18)10-7-9(15)1-2-11(10)16/h1-2,7H,3-6,8H2,(H,17,18)
InChIKeyZNENTEKTPFIXGO-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.40
Rot. Bonds5

About 5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide

5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide (PubChem CID 114758312) has the molecular formula C13H14Br2ClNO and a molecular weight of 395.52 g/mol. Its IUPAC name is 5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide
PubChem CID114758312
Molecular FormulaC13H14Br2ClNO
Molecular Weight395.52 g/mol
Exact Mass392.91
IUPAC Name5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide
SMILESO=C(NCC1(CCBr)CC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H14Br2ClNO/c14-6-5-13(3-4-13)8-17-12(18)10-7-9(15)1-2-11(10)16/h1-2,7H,3-6,8H2,(H,17,18)
InChIKeyZNENTEKTPFIXGO-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.40
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

5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 110631551
2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-5-chlorobenzamide
CID 114026599
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorofuran-3-carboxamide
CID 106690207
5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
CID 107271703
2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide
CID 107941471
2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide
CID 106856232
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-chloro-2-methylbenzamide
CID 107100287
5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide
CID 107730444
5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 115455960
5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755616
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677755
3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 114758209

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide?
The IUPAC name of 5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide (CID 114758312) is 5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide.
What is the SMILES notation for 5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide?
The canonical SMILES for 5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide is O=C(NCC1(CCBr)CC1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide?
The InChIKey is ZNENTEKTPFIXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2ClNO/c14-6-5-13(3-4-13)8-17-12(18)10-7-9(15)1-2-11(10)16/h1-2,7H,3-6,8H2,(H,17,18).
What are the key properties of 5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide?
5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide has a molecular weight of 395.52 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide is sourced from PubChem (CID 114758312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).