1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone

C14H17ClFNO — CID 102865265

IUPAC1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone
SMILESNCC1(C(=O)Cc2cccc(Cl)c2F)CCCC1
InChIInChI=1S/C14H17ClFNO/c15-11-5-3-4-10(13(11)16)8-12(18)14(9-17)6-1-2-7-14/h3-5H,1-2,6-9,17H2
InChIKeyZKXFLUPYHPCNII-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.11
Rot. Bonds4

About 1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone

1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone (PubChem CID 102865265) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone
PubChem CID102865265
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone
SMILESNCC1(C(=O)Cc2cccc(Cl)c2F)CCCC1
InChIInChI=1S/C14H17ClFNO/c15-11-5-3-4-10(13(11)16)8-12(18)14(9-17)6-1-2-7-14/h3-5H,1-2,6-9,17H2
InChIKeyZKXFLUPYHPCNII-UHFFFAOYSA-N
XLogP3.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447949
2-(3-chloro-2-fluorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 102865090
1-[1-(aminomethyl)cycloheptyl]-2-(2-chloro-4-fluorophenyl)ethanone
CID 116602151
1-[1-(aminomethyl)cycloheptyl]-2-(2,6-difluorophenyl)ethanone
CID 114935488
1-[1-(aminomethyl)cyclobutyl]-2-(2-bromo-3-fluorophenyl)ethanone
CID 116600438
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585
1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide
CID 115443760
1-[1-(aminomethyl)cycloheptyl]-2-(2,5-dichlorophenyl)ethanone
CID 116602163
2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 102857313
[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 102858966
[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol
CID 102863615
1-[1-(aminomethyl)cyclopentyl]-2-(4-bromo-2-fluorophenyl)ethanone
CID 116601033

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone (CID 102865265) is 1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone is NCC1(C(=O)Cc2cccc(Cl)c2F)CCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone?
The InChIKey is ZKXFLUPYHPCNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-11-5-3-4-10(13(11)16)8-12(18)14(9-17)6-1-2-7-14/h3-5H,1-2,6-9,17H2.
What are the key properties of 1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone?
1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone has a molecular weight of 269.75 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 102865265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).