2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride

C16H24BrClN2O — CID 119301083

IUPAC2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCC1(c2ccc(Br)cc2)CCC1.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-2-4-14(18)15(20)19-11-16(9-3-10-16)12-5-7-13(17)8-6-12;/h5-8,14H,2-4,9-11,18H2,1H3,(H,19,20);1H
InChIKeyHCNCMEHRLAUAMR-UHFFFAOYSA-N
MW375.74 g/mol
LogP3.54
Rot. Bonds6

About 2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride

2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride (PubChem CID 119301083) has the molecular formula C16H24BrClN2O and a molecular weight of 375.74 g/mol. Its IUPAC name is 2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
PubChem CID119301083
Molecular FormulaC16H24BrClN2O
Molecular Weight375.74 g/mol
Exact Mass374.08
IUPAC Name2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCC1(c2ccc(Br)cc2)CCC1.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-2-4-14(18)15(20)19-11-16(9-3-10-16)12-5-7-13(17)8-6-12;/h5-8,14H,2-4,9-11,18H2,1H3,(H,19,20);1H
InChIKeyHCNCMEHRLAUAMR-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119301081
(2S)-2-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide
CID 119331509
2-amino-N-[(1-phenylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119276377
2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 119293600
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119744791
4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561083
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide
CID 119744792
N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119797524
2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120988365
1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
CID 110902757
N-[2-(2-aminopentanoylamino)ethyl]-4-bromobenzamide
CID 119299531
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 107570322

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride (CID 119301083) is 2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCC1(c2ccc(Br)cc2)CCC1.Cl.
What is the InChIKey of 2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride?
The InChIKey is HCNCMEHRLAUAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O.ClH/c1-2-4-14(18)15(20)19-11-16(9-3-10-16)12-5-7-13(17)8-6-12;/h5-8,14H,2-4,9-11,18H2,1H3,(H,19,20);1H.
What are the key properties of 2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride?
2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride has a molecular weight of 375.74 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119301083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).