N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide

C16H21Br2NO — CID 114317384

IUPACN-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide
SMILESO=C(Cc1cccc(Br)c1)NCC1CCCCC1CBr
InChIInChI=1S/C16H21Br2NO/c17-10-13-5-1-2-6-14(13)11-19-16(20)9-12-4-3-7-15(18)8-12/h3-4,7-8,13-14H,1-2,5-6,9-11H2,(H,19,20)
InChIKeyLEQSPXHINYMTTQ-UHFFFAOYSA-N
MW403.16 g/mol
LogP4.31
Rot. Bonds5

About N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide

N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide (PubChem CID 114317384) has the molecular formula C16H21Br2NO and a molecular weight of 403.16 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide
PubChem CID114317384
Molecular FormulaC16H21Br2NO
Molecular Weight403.16 g/mol
Exact Mass401.00
IUPAC NameN-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide
SMILESO=C(Cc1cccc(Br)c1)NCC1CCCCC1CBr
InChIInChI=1S/C16H21Br2NO/c17-10-13-5-1-2-6-14(13)11-19-16(20)9-12-4-3-7-15(18)8-12/h3-4,7-8,13-14H,1-2,5-6,9-11H2,(H,19,20)
InChIKeyLEQSPXHINYMTTQ-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.16
LogP ≤ 54.31
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)cyclopentyl]-2-(3-bromophenyl)acetamide
CID 106366253
2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide
CID 114317365
2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 112990967
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 114317378
N-[(2-bromocyclohexyl)methyl]-2-phenylacetamide
CID 113275097
2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 75417754
5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114317524
N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide
CID 114313710
3-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 114317339
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114317207
3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107362620

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide?
The IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide (CID 114317384) is N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide is O=C(Cc1cccc(Br)c1)NCC1CCCCC1CBr.
What is the InChIKey of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide?
The InChIKey is LEQSPXHINYMTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Br2NO/c17-10-13-5-1-2-6-14(13)11-19-16(20)9-12-4-3-7-15(18)8-12/h3-4,7-8,13-14H,1-2,5-6,9-11H2,(H,19,20).
What are the key properties of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide?
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide has a molecular weight of 403.16 g/mol, XLogP of 4.31, 5 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-(3-bromophenyl)acetamide is sourced from PubChem (CID 114317384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).