2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide

C14H17BrClNO — CID 113272403

IUPAC2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide
SMILESO=C(Cc1cccc(Br)c1)NC1(CCl)CCCC1
InChIInChI=1S/C14H17BrClNO/c15-12-5-3-4-11(8-12)9-13(18)17-14(10-16)6-1-2-7-14/h3-5,8H,1-2,6-7,9-10H2,(H,17,18)
InChIKeyGWUKNUMADSOMRC-UHFFFAOYSA-N
MW330.65 g/mol
LogP3.66
Rot. Bonds4

About 2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide

2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide (PubChem CID 113272403) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide
PubChem CID113272403
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC Name2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide
SMILESO=C(Cc1cccc(Br)c1)NC1(CCl)CCCC1
InChIInChI=1S/C14H17BrClNO/c15-12-5-3-4-11(8-12)9-13(18)17-14(10-16)6-1-2-7-14/h3-5,8H,1-2,6-7,9-10H2,(H,17,18)
InChIKeyGWUKNUMADSOMRC-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 53.66
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-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 114303437
N-[1-(chloromethyl)cyclohexyl]-2-(3,4-difluorophenyl)acetamide
CID 114303421
N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride
CID 119566788
2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
CID 76931277
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-(3-bromophenyl)acetamide
CID 114314942
2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide
CID 76931291
N-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide
CID 114300597
N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide
CID 106300669
2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138
N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide
CID 119404421
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide
CID 114303953
4-[[2-(3-bromophenyl)acetyl]amino]oxane-4-carboxylic acid
CID 115291429

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide (CID 113272403) is 2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide is O=C(Cc1cccc(Br)c1)NC1(CCl)CCCC1.
What is the InChIKey of 2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide?
The InChIKey is GWUKNUMADSOMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c15-12-5-3-4-11(8-12)9-13(18)17-14(10-16)6-1-2-7-14/h3-5,8H,1-2,6-7,9-10H2,(H,17,18).
What are the key properties of 2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide?
2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide has a molecular weight of 330.65 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide is sourced from PubChem (CID 113272403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).