methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate

C13H12ClNO4 — CID 43408847

IUPACmethyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C13H12ClNO4/c1-18-12(16)6-15-13(17)9-4-8-5-10(14)2-3-11(8)19-7-9/h2-5H,6-7H2,1H3,(H,15,17)
InChIKeyFRZKJQVZHVHUMP-UHFFFAOYSA-N
MW281.69 g/mol
LogP1.40
Rot. Bonds3

About methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate

methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate (PubChem CID 43408847) has the molecular formula C13H12ClNO4 and a molecular weight of 281.69 g/mol. Its IUPAC name is methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
PubChem CID43408847
Molecular FormulaC13H12ClNO4
Molecular Weight281.69 g/mol
Exact Mass281.05
IUPAC Namemethyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C13H12ClNO4/c1-18-12(16)6-15-13(17)9-4-8-5-10(14)2-3-11(8)19-7-9/h2-5H,6-7H2,1H3,(H,15,17)
InChIKeyFRZKJQVZHVHUMP-UHFFFAOYSA-N
XLogP1.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide
CID 115594500
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate
CID 43408851
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate
CID 78884644
6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide
CID 103772938
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide
CID 103919029
6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide
CID 66177068
3-[(6-chloro-2H-chromene-3-carbonyl)amino]butanoic acid
CID 43242074
methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate
CID 16652219
N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 1478817

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate (CID 43408847) is methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate is COC(=O)CNC(=O)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate?
The InChIKey is FRZKJQVZHVHUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-18-12(16)6-15-13(17)9-4-8-5-10(14)2-3-11(8)19-7-9/h2-5H,6-7H2,1H3,(H,15,17).
What are the key properties of methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate?
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate has a molecular weight of 281.69 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate is sourced from PubChem (CID 43408847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).