3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride

C15H22BrClN2O — CID 119744791

IUPAC3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCC1(c2ccc(Br)cc2)CCC1.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-11(17)9-14(19)18-10-15(7-2-8-15)12-3-5-13(16)6-4-12;/h3-6,11H,2,7-10,17H2,1H3,(H,18,19);1H
InChIKeyJAVYDDKFJGZFCE-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.15
Rot. Bonds5

About 3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride

3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride (PubChem CID 119744791) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is 3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride
PubChem CID119744791
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC Name3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCC1(c2ccc(Br)cc2)CCC1.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-11(17)9-14(19)18-10-15(7-2-8-15)12-3-5-13(16)6-4-12;/h3-6,11H,2,7-10,17H2,1H3,(H,18,19);1H
InChIKeyJAVYDDKFJGZFCE-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide
CID 119744792
4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561083
(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119301081
4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride
CID 120592963
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
CID 119731231
2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 119301083
N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119797524
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561735
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
(2S)-2-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide
CID 119331509
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
CID 110902757

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride (CID 119744791) is 3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride is CC(N)CC(=O)NCC1(c2ccc(Br)cc2)CCC1.Cl.
What is the InChIKey of 3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride?
The InChIKey is JAVYDDKFJGZFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O.ClH/c1-11(17)9-14(19)18-10-15(7-2-8-15)12-3-5-13(16)6-4-12;/h3-6,11H,2,7-10,17H2,1H3,(H,18,19);1H.
What are the key properties of 3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride?
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride has a molecular weight of 361.71 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119744791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).