3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide

C14H17Br2NO — CID 114758209

IUPAC3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide
SMILESCc1c(Br)cccc1C(=O)NCC1(CCBr)CC1
InChIInChI=1S/C14H17Br2NO/c1-10-11(3-2-4-12(10)16)13(18)17-9-14(5-6-14)7-8-15/h2-4H,5-9H2,1H3,(H,17,18)
InChIKeyRYENSNPDWDXYFA-UHFFFAOYSA-N
MW375.10 g/mol
LogP4.05
Rot. Bonds5

About 3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide

3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide (PubChem CID 114758209) has the molecular formula C14H17Br2NO and a molecular weight of 375.10 g/mol. Its IUPAC name is 3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide
PubChem CID114758209
Molecular FormulaC14H17Br2NO
Molecular Weight375.10 g/mol
Exact Mass372.97
IUPAC Name3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide
SMILESCc1c(Br)cccc1C(=O)NCC1(CCBr)CC1
InChIInChI=1S/C14H17Br2NO/c1-10-11(3-2-4-12(10)16)13(18)17-9-14(5-6-14)7-8-15/h2-4H,5-9H2,1H3,(H,17,18)
InChIKeyRYENSNPDWDXYFA-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.10
LogP ≤ 54.05
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

N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-chloro-2-methylbenzamide
CID 107100287
3-bromo-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
CID 107271664
3-hydroxy-2-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103873764
3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 79035684
3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 107526326
2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-5-chlorobenzamide
CID 114026599
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
CID 82830831
2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide
CID 106856232
3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 113274839
5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide
CID 114758312
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-fluorobenzamide
CID 114758444
2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
CID 113257623

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide?
The IUPAC name of 3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide (CID 114758209) is 3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide?
The canonical SMILES for 3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide is Cc1c(Br)cccc1C(=O)NCC1(CCBr)CC1.
What is the InChIKey of 3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide?
The InChIKey is RYENSNPDWDXYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO/c1-10-11(3-2-4-12(10)16)13(18)17-9-14(5-6-14)7-8-15/h2-4H,5-9H2,1H3,(H,17,18).
What are the key properties of 3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide?
3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide has a molecular weight of 375.10 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 114758209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).