methyl 2-[(2-chloro-5-methoxybenzoyl)amino]-2-oxoacetate

C11H10ClNO5 — CID 174480736

IUPACmethyl 2-[(2-chloro-5-methoxybenzoyl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)NC(=O)c1cc(OC)ccc1Cl
InChIInChI=1S/C11H10ClNO5/c1-17-6-3-4-8(12)7(5-6)9(14)13-10(15)11(16)18-2/h3-5H,1-2H3,(H,13,14,15)
InChIKeyJEFQMNNQHDRVMJ-UHFFFAOYSA-N
MW271.66 g/mol
LogP0.78
Rot. Bonds2

About methyl 2-[(2-chloro-5-methoxybenzoyl)amino]-2-oxoacetate

methyl 2-[(2-chloro-5-methoxybenzoyl)amino]-2-oxoacetate (PubChem CID 174480736) has the molecular formula C11H10ClNO5 and a molecular weight of 271.66 g/mol. Its IUPAC name is methyl 2-[(2-chloro-5-methoxybenzoyl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-5-methoxybenzoyl)amino]-2-oxoacetate
PubChem CID174480736
Molecular FormulaC11H10ClNO5
Molecular Weight271.66 g/mol
Exact Mass271.02
IUPAC Namemethyl 2-[(2-chloro-5-methoxybenzoyl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)NC(=O)c1cc(OC)ccc1Cl
InChIInChI=1S/C11H10ClNO5/c1-17-6-3-4-8(12)7(5-6)9(14)13-10(15)11(16)18-2/h3-5H,1-2H3,(H,13,14,15)
InChIKeyJEFQMNNQHDRVMJ-UHFFFAOYSA-N
XLogP0.78
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.66
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid
CID 117305828
1-(2-chloro-5-methoxyphenyl)prop-2-en-1-one
CID 130136741
2-bromo-1-(2-chloro-5-methoxyphenyl)-2,2-difluoroethanone
CID 130136738
2-bromo-N-(5-bromo-2-chlorophenyl)-5-methoxybenzamide
CID 62908603
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
CID 4077998
2-chloro-5-(111C)methoxy-N-[(3,5,7-trifluoro-1-adamantyl)methyl](11C)benzamide
CID 134160121
methyl (Z)-4-(2-chloro-4-methoxyphenyl)-4-hydroxy-2-oxobut-3-enoate
CID 82551820
4-chloro-1-(2-chloro-5-methoxyphenyl)butan-1-one
CID 82050615
2-bromo-N-(2,5-dichlorophenyl)-5-methoxybenzamide
CID 7899907
(1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride
CID 88769229
2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide
CID 56715762
5-chloro-1-(2-chloro-5-methoxyphenyl)pentan-1-one
CID 146009620

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-5-methoxybenzoyl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[(2-chloro-5-methoxybenzoyl)amino]-2-oxoacetate (CID 174480736) is methyl 2-[(2-chloro-5-methoxybenzoyl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[(2-chloro-5-methoxybenzoyl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[(2-chloro-5-methoxybenzoyl)amino]-2-oxoacetate is COC(=O)C(=O)NC(=O)c1cc(OC)ccc1Cl.
What is the InChIKey of methyl 2-[(2-chloro-5-methoxybenzoyl)amino]-2-oxoacetate?
The InChIKey is JEFQMNNQHDRVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO5/c1-17-6-3-4-8(12)7(5-6)9(14)13-10(15)11(16)18-2/h3-5H,1-2H3,(H,13,14,15).
What are the key properties of methyl 2-[(2-chloro-5-methoxybenzoyl)amino]-2-oxoacetate?
methyl 2-[(2-chloro-5-methoxybenzoyl)amino]-2-oxoacetate has a molecular weight of 271.66 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-5-methoxybenzoyl)amino]-2-oxoacetate is sourced from PubChem (CID 174480736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).