N-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide

C15H20BrClN2O2 — CID 119565539

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide
SMILESNCC1(NC(=O)CCOc2ccc(Cl)cc2Br)CCCC1
InChIInChI=1S/C15H20BrClN2O2/c16-12-9-11(17)3-4-13(12)21-8-5-14(20)19-15(10-18)6-1-2-7-15/h3-4,9H,1-2,5-8,10,18H2,(H,19,20)
InChIKeyUDLWVBYHGQICKT-UHFFFAOYSA-N
MW375.69 g/mol
LogP3.26
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide

N-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide (PubChem CID 119565539) has the molecular formula C15H20BrClN2O2 and a molecular weight of 375.69 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide
PubChem CID119565539
Molecular FormulaC15H20BrClN2O2
Molecular Weight375.69 g/mol
Exact Mass374.04
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide
SMILESNCC1(NC(=O)CCOc2ccc(Cl)cc2Br)CCCC1
InChIInChI=1S/C15H20BrClN2O2/c16-12-9-11(17)3-4-13(12)21-8-5-14(20)19-15(10-18)6-1-2-7-15/h3-4,9H,1-2,5-8,10,18H2,(H,19,20)
InChIKeyUDLWVBYHGQICKT-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119567423
N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119565936
N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119601445
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide
CID 119565773
N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119996642
N-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride
CID 119613712
methyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43089216
N-[1-(aminomethyl)cyclopentyl]-2-(2,4-dichlorophenoxy)propanamide
CID 119565396
ethyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43365233
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide
CID 119564877
N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide
CID 63889365
2-[3-(2-bromo-4-chlorophenoxy)propanoyl-methylamino]acetic acid
CID 119346356

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide (CID 119565539) is N-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide is NCC1(NC(=O)CCOc2ccc(Cl)cc2Br)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide?
The InChIKey is UDLWVBYHGQICKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O2/c16-12-9-11(17)3-4-13(12)21-8-5-14(20)19-15(10-18)6-1-2-7-15/h3-4,9H,1-2,5-8,10,18H2,(H,19,20).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide?
N-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide has a molecular weight of 375.69 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide is sourced from PubChem (CID 119565539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).