N-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide

C14H17BrClNO — CID 106128298

IUPACN-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NCC1CCC(Br)C1
InChIInChI=1S/C14H17BrClNO/c15-12-5-4-11(6-12)9-17-14(18)8-10-2-1-3-13(16)7-10/h1-3,7,11-12H,4-6,8-9H2,(H,17,18)
InChIKeyFNNVFBQPQABVJT-UHFFFAOYSA-N
MW330.65 g/mol
LogP3.56
Rot. Bonds4

About N-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide

N-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide (PubChem CID 106128298) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide
PubChem CID106128298
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC NameN-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NCC1CCC(Br)C1
InChIInChI=1S/C14H17BrClNO/c15-12-5-4-11(6-12)9-17-14(18)8-10-2-1-3-13(16)7-10/h1-3,7,11-12H,4-6,8-9H2,(H,17,18)
InChIKeyFNNVFBQPQABVJT-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
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

N-[(3-chlorocyclohexyl)methyl]-2-(3-chlorophenyl)acetamide
CID 106132016
N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 113274232
N-[(4-bromocyclohexyl)methyl]-2-phenylacetamide
CID 106134234
N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide
CID 106128590
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide
CID 114315718
N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide
CID 114147272
N-[(3-aminocyclopentyl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 114146228
N-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide
CID 114147208
2-(3-chlorophenyl)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 110737325
N-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide
CID 106133060
N-[(3-bromocyclobutyl)methyl]-2-(3-chlorophenyl)-N-methylacetamide
CID 80672572

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide (CID 106128298) is N-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide is O=C(Cc1cccc(Cl)c1)NCC1CCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide?
The InChIKey is FNNVFBQPQABVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c15-12-5-4-11(6-12)9-17-14(18)8-10-2-1-3-13(16)7-10/h1-3,7,11-12H,4-6,8-9H2,(H,17,18).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide?
N-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide has a molecular weight of 330.65 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 106128298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).