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

C10H9ClFNO3 — CID 6469574

IUPACmethyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H9ClFNO3/c1-16-9(14)5-13-10(15)7-3-2-6(12)4-8(7)11/h2-4H,5H2,1H3,(H,13,15)
InChIKeyZAEMWTSAPSKZMJ-UHFFFAOYSA-N
MW245.64 g/mol
LogP1.38
Rot. Bonds3

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

methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate (PubChem CID 6469574) has the molecular formula C10H9ClFNO3 and a molecular weight of 245.64 g/mol. Its IUPAC name is methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
PubChem CID6469574
Molecular FormulaC10H9ClFNO3
Molecular Weight245.64 g/mol
Exact Mass245.03
IUPAC Namemethyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H9ClFNO3/c1-16-9(14)5-13-10(15)7-3-2-6(12)4-8(7)11/h2-4H,5H2,1H3,(H,13,15)
InChIKeyZAEMWTSAPSKZMJ-UHFFFAOYSA-N
XLogP1.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.64
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 27711239
methyl 2-[[2-(3-aminoprop-1-ynyl)-4-fluorobenzoyl]amino]acetate
CID 60820642
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate
CID 30876006
methyl 2-[(2,5-dichloro-4-methylsulfanylbenzoyl)amino]acetate
CID 59888546
2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 6465941
methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate
CID 54979189
methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate
CID 27682431
2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599502
methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate
CID 531421
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate
CID 28567058
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 16533895

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate (CID 6469574) is methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate is COC(=O)CNC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate?
The InChIKey is ZAEMWTSAPSKZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO3/c1-16-9(14)5-13-10(15)7-3-2-6(12)4-8(7)11/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate?
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate has a molecular weight of 245.64 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 6469574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).