N-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide

C17H24BrNO — CID 107233781

IUPACN-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide
SMILESO=C(CC1CCCCCC1)NCc1ccc(CBr)cc1
InChIInChI=1S/C17H24BrNO/c18-12-15-7-9-16(10-8-15)13-19-17(20)11-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11-13H2,(H,19,20)
InChIKeyGZKGOJMIXQPDHQ-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.56
Rot. Bonds5

About N-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide

N-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide (PubChem CID 107233781) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide
PubChem CID107233781
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC NameN-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide
SMILESO=C(CC1CCCCCC1)NCc1ccc(CBr)cc1
InChIInChI=1S/C17H24BrNO/c18-12-15-7-9-16(10-8-15)13-19-17(20)11-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11-13H2,(H,19,20)
InChIKeyGZKGOJMIXQPDHQ-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.56
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

2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55447256
4-[[(2-cyclobutylacetyl)amino]methyl]benzoic acid
CID 113265035
2-cyclopentyl-N-[(4-nitrophenyl)methyl]acetamide
CID 47312023
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694
N-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108933910
2-cyclopentyl-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 134029016
2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507
2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide
CID 105062462
2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide
CID 108923367
2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide
CID 156825138
N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide
CID 60972004
2-cyclohexyl-N-[2-[[N'-methyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]ethyl]acetamide
CID 111244973

Frequently Asked Questions

What is the IUPAC name of N-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide?
The IUPAC name of N-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide (CID 107233781) is N-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide.
What is the SMILES notation for N-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide?
The canonical SMILES for N-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide is O=C(CC1CCCCCC1)NCc1ccc(CBr)cc1.
What is the InChIKey of N-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide?
The InChIKey is GZKGOJMIXQPDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c18-12-15-7-9-16(10-8-15)13-19-17(20)11-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11-13H2,(H,19,20).
What are the key properties of N-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide?
N-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide has a molecular weight of 338.29 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide is sourced from PubChem (CID 107233781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).