5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide

C13H14BrCl2NO — CID 106126328

IUPAC5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
SMILESO=C(NCC1CCC(Cl)C1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H14BrCl2NO/c14-9-2-4-12(16)11(6-9)13(18)17-7-8-1-3-10(15)5-8/h2,4,6,8,10H,1,3,5,7H2,(H,17,18)
InChIKeyPDJMRINVUXGEOV-UHFFFAOYSA-N
MW351.07 g/mol
LogP4.24
Rot. Bonds3

About 5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide

5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide (PubChem CID 106126328) has the molecular formula C13H14BrCl2NO and a molecular weight of 351.07 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
PubChem CID106126328
Molecular FormulaC13H14BrCl2NO
Molecular Weight351.07 g/mol
Exact Mass348.96
IUPAC Name5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
SMILESO=C(NCC1CCC(Cl)C1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H14BrCl2NO/c14-9-2-4-12(16)11(6-9)13(18)17-7-8-1-3-10(15)5-8/h2,4,6,8,10H,1,3,5,7H2,(H,17,18)
InChIKeyPDJMRINVUXGEOV-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.07
LogP ≤ 54.24
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-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103280349
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696
5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103690984
2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide
CID 114146880
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
4-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279853
5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 47179450
5-bromo-2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 47156896
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide
CID 114146890
4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 114146975
4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006638

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide (CID 106126328) is 5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide is O=C(NCC1CCC(Cl)C1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide?
The InChIKey is PDJMRINVUXGEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrCl2NO/c14-9-2-4-12(16)11(6-9)13(18)17-7-8-1-3-10(15)5-8/h2,4,6,8,10H,1,3,5,7H2,(H,17,18).
What are the key properties of 5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide?
5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide has a molecular weight of 351.07 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide is sourced from PubChem (CID 106126328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).