N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide

C15H18BrClFNO — CID 114317426

IUPACN-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide
SMILESO=C(NCC1CCCCC1CBr)c1c(F)cccc1Cl
InChIInChI=1S/C15H18BrClFNO/c16-8-10-4-1-2-5-11(10)9-19-15(20)14-12(17)6-3-7-13(14)18/h3,6-7,10-11H,1-2,4-5,8-9H2,(H,19,20)
InChIKeyOXXNGTLJXBVVFO-UHFFFAOYSA-N
MW362.67 g/mol
LogP4.41
Rot. Bonds4

About N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide

N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide (PubChem CID 114317426) has the molecular formula C15H18BrClFNO and a molecular weight of 362.67 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide
PubChem CID114317426
Molecular FormulaC15H18BrClFNO
Molecular Weight362.67 g/mol
Exact Mass361.02
IUPAC NameN-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide
SMILESO=C(NCC1CCCCC1CBr)c1c(F)cccc1Cl
InChIInChI=1S/C15H18BrClFNO/c16-8-10-4-1-2-5-11(10)9-19-15(20)14-12(17)6-3-7-13(14)18/h3,6-7,10-11H,1-2,4-5,8-9H2,(H,19,20)
InChIKeyOXXNGTLJXBVVFO-UHFFFAOYSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.67
LogP ≤ 54.41
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-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide
CID 114317422
methyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745251
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114317207
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-methylbenzamide
CID 107100189
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide
CID 113276186
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide
CID 114317365
5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114317524
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100
2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106364539
N-[[2-(bromomethyl)cyclopentyl]methyl]-2,3,4-trifluorobenzamide
CID 114317137
N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide
CID 114312152

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide (CID 114317426) is N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide is O=C(NCC1CCCCC1CBr)c1c(F)cccc1Cl.
What is the InChIKey of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide?
The InChIKey is OXXNGTLJXBVVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClFNO/c16-8-10-4-1-2-5-11(10)9-19-15(20)14-12(17)6-3-7-13(14)18/h3,6-7,10-11H,1-2,4-5,8-9H2,(H,19,20).
What are the key properties of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide?
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide has a molecular weight of 362.67 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 114317426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).