N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride

C15H22BrClN2O — CID 119797524

IUPACN-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCC1(c2ccc(Br)cc2)CCCC1.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-17-10-14(19)18-11-15(8-2-3-9-15)12-4-6-13(16)7-5-12;/h4-7,17H,2-3,8-11H2,1H3,(H,18,19);1H
InChIKeyMWHUEUIKJNKJJR-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.02
Rot. Bonds5

About N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride

N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119797524) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119797524
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC NameN-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCC1(c2ccc(Br)cc2)CCCC1.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-17-10-14(19)18-11-15(8-2-3-9-15)12-4-6-13(16)7-5-12;/h4-7,17H,2-3,8-11H2,1H3,(H,18,19);1H
InChIKeyMWHUEUIKJNKJJR-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119731211
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119744791
4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561083
4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride
CID 120592963
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide
CID 119744792
(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119301081
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide
CID 119749418
3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic acid
CID 122003095
1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
CID 110902757
2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 136518370
N-[[1-(4-bromophenyl)cyclohexyl]methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 154852435
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119799732

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride (CID 119797524) is N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NCC1(c2ccc(Br)cc2)CCCC1.Cl.
What is the InChIKey of N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is MWHUEUIKJNKJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O.ClH/c1-17-10-14(19)18-11-15(8-2-3-9-15)12-4-6-13(16)7-5-12;/h4-7,17H,2-3,8-11H2,1H3,(H,18,19);1H.
What are the key properties of N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride?
N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 361.71 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119797524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).