3-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylbenzamide

C15H19Br2NO — CID 113461092

IUPAC3-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NCC2(CBr)CCCC2)c1
InChIInChI=1S/C15H19Br2NO/c1-11-6-12(8-13(17)7-11)14(19)18-10-15(9-16)4-2-3-5-15/h6-8H,2-5,9-10H2,1H3,(H,18,19)
InChIKeySLHLRUIHSRNWKX-UHFFFAOYSA-N
MW389.13 g/mol
LogP4.44
Rot. Bonds4

About 3-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylbenzamide

3-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylbenzamide (PubChem CID 113461092) has the molecular formula C15H19Br2NO and a molecular weight of 389.13 g/mol. Its IUPAC name is 3-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylbenzamide
PubChem CID113461092
Molecular FormulaC15H19Br2NO
Molecular Weight389.13 g/mol
Exact Mass386.98
IUPAC Name3-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NCC2(CBr)CCCC2)c1
InChIInChI=1S/C15H19Br2NO/c1-11-6-12(8-13(17)7-11)14(19)18-10-15(9-16)4-2-3-5-15/h6-8H,2-5,9-10H2,1H3,(H,18,19)
InChIKeySLHLRUIHSRNWKX-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.13
LogP ≤ 54.44
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

3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide
CID 107975182
3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107975224
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide
CID 107941344
3-bromo-N-[(1-methoxycyclobutyl)methyl]-5-methylbenzamide
CID 104854477
3,5-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107975178
3-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylbenzamide
CID 107302290
3-bromo-N-(4-bromobutyl)-5-methylbenzamide
CID 106845608
3-bromo-5-methyl-N-(2-oxopropyl)benzamide
CID 104851607
N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115364322
4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide
CID 103969816
3-bromo-N-butyl-5-methylbenzamide
CID 104851755
3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide
CID 106899931

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylbenzamide?
The IUPAC name of 3-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylbenzamide (CID 113461092) is 3-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylbenzamide is Cc1cc(Br)cc(C(=O)NCC2(CBr)CCCC2)c1.
What is the InChIKey of 3-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylbenzamide?
The InChIKey is SLHLRUIHSRNWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2NO/c1-11-6-12(8-13(17)7-11)14(19)18-10-15(9-16)4-2-3-5-15/h6-8H,2-5,9-10H2,1H3,(H,18,19).
What are the key properties of 3-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylbenzamide?
3-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylbenzamide has a molecular weight of 389.13 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylbenzamide is sourced from PubChem (CID 113461092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).