ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate

C14H17ClFNO2 — CID 60697155

IUPACethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate
SMILESCCOC(=O)CN(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C14H17ClFNO2/c1-2-19-14(18)9-17(10-6-7-10)8-11-12(15)4-3-5-13(11)16/h3-5,10H,2,6-9H2,1H3
InChIKeyMWYJFJJOXPIOJG-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.01
Rot. Bonds6

About ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate

ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate (PubChem CID 60697155) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate
PubChem CID60697155
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Nameethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate
SMILESCCOC(=O)CN(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C14H17ClFNO2/c1-2-19-14(18)9-17(10-6-7-10)8-11-12(15)4-3-5-13(11)16/h3-5,10H,2,6-9H2,1H3
InChIKeyMWYJFJJOXPIOJG-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate
CID 61410393
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide
CID 17489433
2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
CID 60801937
ethyl 2-[cyclopropyl-[2-(2,6-dichlorophenyl)acetyl]amino]acetate
CID 61410087
ethyl 5-[[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetyl]amino]-1-methylpyrazole-4-carboxylate
CID 56541025
ethyl 2-[cyclopropyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate
CID 62027787
ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate
CID 79035812
ethyl 2-[(3-chloro-2-fluorobenzoyl)-cyclopropylamino]acetate
CID 80977006
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,5-difluorophenyl)acetamide
CID 34717732
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 55445713
4-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 78829478
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 60806803

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate (CID 60697155) is ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate is CCOC(=O)CN(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate?
The InChIKey is MWYJFJJOXPIOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-2-19-14(18)9-17(10-6-7-10)8-11-12(15)4-3-5-13(11)16/h3-5,10H,2,6-9H2,1H3.
What are the key properties of ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate?
ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate has a molecular weight of 285.75 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate is sourced from PubChem (CID 60697155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).