ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate

C11H13ClFNO2 — CID 62537294

IUPACethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFNO2/c1-2-16-11(15)7-14-6-8-3-4-10(13)9(12)5-8/h3-5,14H,2,6-7H2,1H3
InChIKeyCTSKAKPROOFQBS-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.13
Rot. Bonds5

About ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate

ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate (PubChem CID 62537294) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate
PubChem CID62537294
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Nameethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFNO2/c1-2-16-11(15)7-14-6-8-3-4-10(13)9(12)5-8/h3-5,14H,2,6-7H2,1H3
InChIKeyCTSKAKPROOFQBS-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate
CID 55086734
ethyl 2-[(3-fluoro-4-methylphenyl)methylamino]acetate
CID 60721361
ethyl 2-[(3-chloro-4-methoxyphenyl)methylamino]acetate
CID 65021849
ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate
CID 23033394
ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate
CID 60811234
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
ethyl 2-[(3,4,5-trifluorophenyl)methylamino]acetate
CID 63050540
ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoacetate
CID 62532273
ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate
CID 65315908
ethyl 2-[(2,4-dichlorophenyl)methylamino]acetate
CID 60680818
ethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate
CID 61103810
2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide
CID 62538780

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate?
The IUPAC name of ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate (CID 62537294) is ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate is CCOC(=O)CNCc1ccc(F)c(Cl)c1.
What is the InChIKey of ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate?
The InChIKey is CTSKAKPROOFQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-2-16-11(15)7-14-6-8-3-4-10(13)9(12)5-8/h3-5,14H,2,6-7H2,1H3.
What are the key properties of ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate?
ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate has a molecular weight of 245.68 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate is sourced from PubChem (CID 62537294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).