2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide

C14H17BrClNO — CID 102872883

IUPAC2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide
SMILESO=C(Cc1ccc(Br)cc1)N(CCCl)C1CCC1
InChIInChI=1S/C14H17BrClNO/c15-12-6-4-11(5-7-12)10-14(18)17(9-8-16)13-2-1-3-13/h4-7,13H,1-3,8-10H2
InChIKeyQTHYFGQDEFDVOY-UHFFFAOYSA-N
MW330.65 g/mol
LogP3.61
Rot. Bonds5

About 2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide

2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide (PubChem CID 102872883) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide
PubChem CID102872883
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC Name2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide
SMILESO=C(Cc1ccc(Br)cc1)N(CCCl)C1CCC1
InChIInChI=1S/C14H17BrClNO/c15-12-6-4-11(5-7-12)10-14(18)17(9-8-16)13-2-1-3-13/h4-7,13H,1-3,8-10H2
InChIKeyQTHYFGQDEFDVOY-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-N-cyclohexylacetamide
CID 842496
2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone
CID 669928
1-(1-Azepanyl)-2-(4-bromophenyl)ethanone
CID 875268
2-(4-bromophenyl)-N-butyl-N-ethylacetamide
CID 2162219
2-(4-bromophenyl)-N-(pentan-2-yl)acetamide
CID 2905249
2-(4-bromophenyl)-N-cyclohexyl-N-ethylacetamide
CID 884873
2-(4-bromophenyl)-N-cyclopentylacetamide
CID 875826
2-(4-bromophenyl)-N,N-dimethylacetamide
CID 4631595
2-(4-bromophenyl)-N-(propan-2-yl)acetamide
CID 669886
2-(4-bromophenyl)-N-[(2S)-1-(2,5-dihydropyrrol-1-yl)-3-methylbutan-2-yl]-N-methylacetamide
CID 44313455
2-(4-bromophenyl)-N,N-diethylacetamide
CID 669954
2-(4-bromophenyl)-N,N-bis(cyanomethyl)acetamide
CID 669794

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide (CID 102872883) is 2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide is O=C(Cc1ccc(Br)cc1)N(CCCl)C1CCC1.
What is the InChIKey of 2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide?
The InChIKey is QTHYFGQDEFDVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c15-12-6-4-11(5-7-12)10-14(18)17(9-8-16)13-2-1-3-13/h4-7,13H,1-3,8-10H2.
What are the key properties of 2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide?
2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide has a molecular weight of 330.65 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide is sourced from PubChem (CID 102872883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).