methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate

C11H9ClF3NO4 — CID 19170678

IUPACmethyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate
SMILESCOC(=O)c1cc(Cl)c(NC(=O)C(F)(F)F)cc1OC
InChIInChI=1S/C11H9ClF3NO4/c1-19-8-4-7(16-10(18)11(13,14)15)6(12)3-5(8)9(17)20-2/h3-4H,1-2H3,(H,16,18)
InChIKeyHEXVTXQYKCOVAT-UHFFFAOYSA-N
MW311.64 g/mol
LogP2.64
Rot. Bonds3

About methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate

methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate (PubChem CID 19170678) has the molecular formula C11H9ClF3NO4 and a molecular weight of 311.64 g/mol. Its IUPAC name is methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate
PubChem CID19170678
Molecular FormulaC11H9ClF3NO4
Molecular Weight311.64 g/mol
Exact Mass311.02
IUPAC Namemethyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate
SMILESCOC(=O)c1cc(Cl)c(NC(=O)C(F)(F)F)cc1OC
InChIInChI=1S/C11H9ClF3NO4/c1-19-8-4-7(16-10(18)11(13,14)15)6(12)3-5(8)9(17)20-2/h3-4H,1-2H3,(H,16,18)
InChIKeyHEXVTXQYKCOVAT-UHFFFAOYSA-N
XLogP2.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.64
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate with MolForge

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Related Compounds

5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid
CID 103018243
methyl 5-chloro-2-methoxy-4-(propylamino)benzoate
CID 18322280
N-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836762
methyl 5-chloro-4-[[(3S)-3-hydroxybutyl]carbamoylamino]-2-methoxybenzoate
CID 95980182
methyl 2-chloro-4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 118454929
methyl 5-chloro-2-methoxy-4-(pyridin-2-ylcarbamoylamino)benzoate
CID 110492036
tert-butyl 5-chloro-2-methoxy-4-(methylamino)benzoate
CID 118705233
methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate
CID 2988921
methyl 5-chloro-4-[3-(2,4-dichlorophenyl)prop-2-enoylamino]-2-methoxybenzoate
CID 1183481
methyl 5-chloro-4-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]carbamoylamino]-2-methoxybenzoate
CID 97311590
methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 19170715
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate?
The IUPAC name of methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate (CID 19170678) is methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate.
What is the SMILES notation for methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate?
The canonical SMILES for methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate is COC(=O)c1cc(Cl)c(NC(=O)C(F)(F)F)cc1OC.
What is the InChIKey of methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate?
The InChIKey is HEXVTXQYKCOVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO4/c1-19-8-4-7(16-10(18)11(13,14)15)6(12)3-5(8)9(17)20-2/h3-4H,1-2H3,(H,16,18).
What are the key properties of methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate?
methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate has a molecular weight of 311.64 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate is sourced from PubChem (CID 19170678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).