N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide

C14H18ClFN2O2 — CID 119564877

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide
SMILESNCC1(NC(=O)COc2ccc(F)cc2Cl)CCCC1
InChIInChI=1S/C14H18ClFN2O2/c15-11-7-10(16)3-4-12(11)20-8-13(19)18-14(9-17)5-1-2-6-14/h3-4,7H,1-2,5-6,8-9,17H2,(H,18,19)
InChIKeyTUGJRVDNSLJFFI-UHFFFAOYSA-N
MW300.76 g/mol
LogP2.25
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide

N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide (PubChem CID 119564877) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide
PubChem CID119564877
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide
SMILESNCC1(NC(=O)COc2ccc(F)cc2Cl)CCCC1
InChIInChI=1S/C14H18ClFN2O2/c15-11-7-10(16)3-4-12(11)20-8-13(19)18-14(9-17)5-1-2-6-14/h3-4,7H,1-2,5-6,8-9,17H2,(H,18,19)
InChIKeyTUGJRVDNSLJFFI-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64868038
2-(2,4-difluorophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519487
2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522356
N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119567423
N-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119565633
2-(4-bromo-2-chlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62520939
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79844426
N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119565936
2-(2-chloro-4-fluorophenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636624
2-(2-chloro-4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114631346

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide (CID 119564877) is N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide is NCC1(NC(=O)COc2ccc(F)cc2Cl)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide?
The InChIKey is TUGJRVDNSLJFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c15-11-7-10(16)3-4-12(11)20-8-13(19)18-14(9-17)5-1-2-6-14/h3-4,7H,1-2,5-6,8-9,17H2,(H,18,19).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide?
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide has a molecular weight of 300.76 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide is sourced from PubChem (CID 119564877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).