3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide

C15H18Br2ClNO — CID 107941344

IUPAC3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide
SMILESO=C(NCC1(CBr)CCCCC1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H18Br2ClNO/c16-9-15(4-2-1-3-5-15)10-19-14(20)11-6-12(17)8-13(18)7-11/h6-8H,1-5,9-10H2,(H,19,20)
InChIKeyBHKHVLGUZDXORS-UHFFFAOYSA-N
MW423.58 g/mol
LogP5.18
Rot. Bonds4

About 3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide

3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide (PubChem CID 107941344) has the molecular formula C15H18Br2ClNO and a molecular weight of 423.58 g/mol. Its IUPAC name is 3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide
PubChem CID107941344
Molecular FormulaC15H18Br2ClNO
Molecular Weight423.58 g/mol
Exact Mass420.94
IUPAC Name3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide
SMILESO=C(NCC1(CBr)CCCCC1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H18Br2ClNO/c16-9-15(4-2-1-3-5-15)10-19-14(20)11-6-12(17)8-13(18)7-11/h6-8H,1-5,9-10H2,(H,19,20)
InChIKeyBHKHVLGUZDXORS-UHFFFAOYSA-N
XLogP5.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.58
LogP ≤ 55.18
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)cyclohexyl]methyl]benzamide
CID 107975224
3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide
CID 107975182
3-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylbenzamide
CID 113461092
3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 104957596
3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 107952216
3,5-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107975178
3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701177
3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
CID 114096121
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-chlorobenzamide
CID 115456213
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide
CID 103969636
3-bromo-5-chloro-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 107952902
2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107941343

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide?
The IUPAC name of 3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide (CID 107941344) is 3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide.
What is the SMILES notation for 3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide?
The canonical SMILES for 3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide is O=C(NCC1(CBr)CCCCC1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide?
The InChIKey is BHKHVLGUZDXORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2ClNO/c16-9-15(4-2-1-3-5-15)10-19-14(20)11-6-12(17)8-13(18)7-11/h6-8H,1-5,9-10H2,(H,19,20).
What are the key properties of 3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide?
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide has a molecular weight of 423.58 g/mol, XLogP of 5.18, 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)cyclohexyl]methyl]-5-chlorobenzamide is sourced from PubChem (CID 107941344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).