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

C16H24BrClN2O — CID 120561083

IUPAC4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCC1(c2ccc(Br)cc2)CCC1.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-12(18)3-8-15(20)19-11-16(9-2-10-16)13-4-6-14(17)7-5-13;/h4-7,12H,2-3,8-11,18H2,1H3,(H,19,20);1H
InChIKeyMZJNTMMENOFZEW-UHFFFAOYSA-N
MW375.74 g/mol
LogP3.54
Rot. Bonds6

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

4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride (PubChem CID 120561083) has the molecular formula C16H24BrClN2O and a molecular weight of 375.74 g/mol. Its IUPAC name is 4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
PubChem CID120561083
Molecular FormulaC16H24BrClN2O
Molecular Weight375.74 g/mol
Exact Mass374.08
IUPAC Name4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCC1(c2ccc(Br)cc2)CCC1.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-12(18)3-8-15(20)19-11-16(9-2-10-16)13-4-6-14(17)7-5-13;/h4-7,12H,2-3,8-11,18H2,1H3,(H,19,20);1H
InChIKeyMZJNTMMENOFZEW-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

Analyze 4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119744791
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561735
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide
CID 119744792
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119301081
2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 119301083
4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride
CID 120559506
N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119797524
4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120560680
4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide
CID 120561270
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576
4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride
CID 120592963

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride (CID 120561083) is 4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride is CC(N)CCC(=O)NCC1(c2ccc(Br)cc2)CCC1.Cl.
What is the InChIKey of 4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride?
The InChIKey is MZJNTMMENOFZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O.ClH/c1-12(18)3-8-15(20)19-11-16(9-2-10-16)13-4-6-14(17)7-5-13;/h4-7,12H,2-3,8-11,18H2,1H3,(H,19,20);1H.
What are the key properties of 4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride?
4-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 4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride is sourced from PubChem (CID 120561083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).