N-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide

C14H17Br2NO — CID 106366253

IUPACN-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide
SMILESO=C(Cc1cccc(Br)c1)NC1CCCC1CBr
InChIInChI=1S/C14H17Br2NO/c15-9-11-4-2-6-13(11)17-14(18)8-10-3-1-5-12(16)7-10/h1,3,5,7,11,13H,2,4,6,8-9H2,(H,17,18)
InChIKeyVQMQTIGQBNFVFP-UHFFFAOYSA-N
MW375.10 g/mol
LogP3.67
Rot. Bonds4

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

N-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide (PubChem CID 106366253) has the molecular formula C14H17Br2NO and a molecular weight of 375.10 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide
PubChem CID106366253
Molecular FormulaC14H17Br2NO
Molecular Weight375.10 g/mol
Exact Mass372.97
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide
SMILESO=C(Cc1cccc(Br)c1)NC1CCCC1CBr
InChIInChI=1S/C14H17Br2NO/c15-9-11-4-2-6-13(11)17-14(18)8-10-3-1-5-12(16)7-10/h1,3,5,7,11,13H,2,4,6,8-9H2,(H,17,18)
InChIKeyVQMQTIGQBNFVFP-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.10
LogP ≤ 53.67
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-methylphenyl)acetamide
CID 106366301
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide
CID 114317384
2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138
N-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide
CID 106367187
N-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide
CID 112752910
N-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide
CID 106367286
N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 106366410
N-[2-(chloromethyl)cyclopentyl]-2-(3-chlorophenyl)acetamide
CID 114179367
2-(3-aminophenyl)-N-(2-ethylcyclohexyl)acetamide
CID 55083950
N-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide
CID 106366080
2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 112990967
5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 106366608

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide (CID 106366253) is N-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide is O=C(Cc1cccc(Br)c1)NC1CCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide?
The InChIKey is VQMQTIGQBNFVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO/c15-9-11-4-2-6-13(11)17-14(18)8-10-3-1-5-12(16)7-10/h1,3,5,7,11,13H,2,4,6,8-9H2,(H,17,18).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide?
N-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide has a molecular weight of 375.10 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide is sourced from PubChem (CID 106366253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).