1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone

C11H11ClFNO — CID 116576500

IUPAC1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone
SMILESNC1(C(=O)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C11H11ClFNO/c12-8-2-1-3-9(13)7(8)6-10(15)11(14)4-5-11/h1-3H,4-6,14H2
InChIKeyAENIRSUUOFWDTE-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.08
Rot. Bonds3

About 1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone

1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone (PubChem CID 116576500) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is 1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone
PubChem CID116576500
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone
SMILESNC1(C(=O)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C11H11ClFNO/c12-8-2-1-3-9(13)7(8)6-10(15)11(14)4-5-11/h1-3H,4-6,14H2
InChIKeyAENIRSUUOFWDTE-UHFFFAOYSA-N
XLogP2.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 107322940
2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484750
1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 67421202
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 63887000
2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568506
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 120804377
2-(2-chloro-6-fluorophenyl)-N-[(3S)-3-cyanothiolan-3-yl]acetamide
CID 94797656
1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone
CID 116550631
1-(4-aminopiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone;hydrochloride
CID 119376793
1-[[[2-(2-chloro-6-fluorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311909
2-(2-chloro-6-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749639

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone?
The IUPAC name of 1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone (CID 116576500) is 1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone.
What is the SMILES notation for 1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone?
The canonical SMILES for 1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone is NC1(C(=O)Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone?
The InChIKey is AENIRSUUOFWDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c12-8-2-1-3-9(13)7(8)6-10(15)11(14)4-5-11/h1-3H,4-6,14H2.
What are the key properties of 1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone?
1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone has a molecular weight of 227.67 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone is sourced from PubChem (CID 116576500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).