methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate

C12H13ClFNO3 — CID 54979189

IUPACmethyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H13ClFNO3/c1-3-15(7-11(16)18-2)12(17)9-5-4-8(14)6-10(9)13/h4-6H,3,7H2,1-2H3
InChIKeyRKYJRZBTVIOQNK-UHFFFAOYSA-N
MW273.69 g/mol
LogP2.11
Rot. Bonds4

About methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate

methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate (PubChem CID 54979189) has the molecular formula C12H13ClFNO3 and a molecular weight of 273.69 g/mol. Its IUPAC name is methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate
PubChem CID54979189
Molecular FormulaC12H13ClFNO3
Molecular Weight273.69 g/mol
Exact Mass273.06
IUPAC Namemethyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H13ClFNO3/c1-3-15(7-11(16)18-2)12(17)9-5-4-8(14)6-10(9)13/h4-6H,3,7H2,1-2H3
InChIKeyRKYJRZBTVIOQNK-UHFFFAOYSA-N
XLogP2.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate
CID 54998021
2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide
CID 34169732
methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate
CID 106491024
N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 79668411
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574
methyl 2-[(5-fluoro-2-methylbenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63047935
methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate
CID 54979100
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 54987417
ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate
CID 61073584
methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 61383254
methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate
CID 61383603
methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate
CID 106501642

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate?
The IUPAC name of methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate (CID 54979189) is methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate?
The canonical SMILES for methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate is CCN(CC(=O)OC)C(=O)c1ccc(F)cc1Cl.
What is the InChIKey of methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate?
The InChIKey is RKYJRZBTVIOQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO3/c1-3-15(7-11(16)18-2)12(17)9-5-4-8(14)6-10(9)13/h4-6H,3,7H2,1-2H3.
What are the key properties of methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate?
methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate has a molecular weight of 273.69 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate is sourced from PubChem (CID 54979189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).