N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide

C13H16BrNO — CID 800129

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
SMILESC[C@H](NC(=O)C1CCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H16BrNO/c1-9(10-5-7-12(14)8-6-10)15-13(16)11-3-2-4-11/h5-9,11H,2-4H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyZKVJJEODNIPOPE-VIFPVBQESA-N
MW282.18 g/mol
LogP3.43
Rot. Bonds3

About N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide

N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide (PubChem CID 800129) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
PubChem CID800129
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
SMILESC[C@H](NC(=O)C1CCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H16BrNO/c1-9(10-5-7-12(14)8-6-10)15-13(16)11-3-2-4-11/h5-9,11H,2-4H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyZKVJJEODNIPOPE-VIFPVBQESA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 16548243
N-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79673733
2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977968
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide
CID 34483284
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]cycloheptanecarboxamide
CID 58417527
tert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 24515347
N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
CID 2918368
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide
CID 112791720
N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide
CID 54936832

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide (CID 800129) is N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide is C[C@H](NC(=O)C1CCC1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide?
The InChIKey is ZKVJJEODNIPOPE-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16BrNO/c1-9(10-5-7-12(14)8-6-10)15-13(16)11-3-2-4-11/h5-9,11H,2-4H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide?
N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide has a molecular weight of 282.18 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 800129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).