N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide

C15H20BrClN2O2 — CID 119601445

IUPACN-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide
SMILESNCC1CCCC1NC(=O)CCOc1ccc(Cl)cc1Br
InChIInChI=1S/C15H20BrClN2O2/c16-12-8-11(17)4-5-14(12)21-7-6-15(20)19-13-3-1-2-10(13)9-18/h4-5,8,10,13H,1-3,6-7,9,18H2,(H,19,20)
InChIKeyHCHSAMYEXLFVIX-UHFFFAOYSA-N
MW375.69 g/mol
LogP3.12
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide

N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide (PubChem CID 119601445) has the molecular formula C15H20BrClN2O2 and a molecular weight of 375.69 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide
PubChem CID119601445
Molecular FormulaC15H20BrClN2O2
Molecular Weight375.69 g/mol
Exact Mass374.04
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide
SMILESNCC1CCCC1NC(=O)CCOc1ccc(Cl)cc1Br
InChIInChI=1S/C15H20BrClN2O2/c16-12-8-11(17)4-5-14(12)21-7-6-15(20)19-13-3-1-2-10(13)9-18/h4-5,8,10,13H,1-3,6-7,9,18H2,(H,19,20)
InChIKeyHCHSAMYEXLFVIX-UHFFFAOYSA-N
XLogP3.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.69
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide
CID 119602349
N-[2-(aminomethyl)cyclopentyl]-4-(2-bromophenoxy)butanamide;hydrochloride
CID 119603805
N-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride
CID 119613712
N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dichlorophenoxy)acetamide;hydrochloride
CID 119600602
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide
CID 119604389
N-[2-(aminomethyl)cyclopentyl]-2-(5-chloro-2-methoxyphenyl)acetamide
CID 119600550
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119604388
N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide
CID 119601994
N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride
CID 119600494
N-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119565539
N-[2-(aminomethyl)cyclohexyl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 119610524
N-[2-(aminomethyl)cyclopentyl]-3-(3,5-dimethylphenoxy)propanamide
CID 119603780

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide (CID 119601445) is N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide is NCC1CCCC1NC(=O)CCOc1ccc(Cl)cc1Br.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide?
The InChIKey is HCHSAMYEXLFVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O2/c16-12-8-11(17)4-5-14(12)21-7-6-15(20)19-13-3-1-2-10(13)9-18/h4-5,8,10,13H,1-3,6-7,9,18H2,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide?
N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide has a molecular weight of 375.69 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide is sourced from PubChem (CID 119601445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).