methyl 2-acetamido-5-acetyl-4-(fluoromethyl)benzoate

C13H14FNO4 — CID 70641026

IUPACmethyl 2-acetamido-5-acetyl-4-(fluoromethyl)benzoate
SMILESCOC(=O)c1cc(C(C)=O)c(CF)cc1NC(C)=O
InChIInChI=1S/C13H14FNO4/c1-7(16)10-5-11(13(18)19-3)12(15-8(2)17)4-9(10)6-14/h4-5H,6H2,1-3H3,(H,15,17)
InChIKeyFQLVORDDFXFRQD-UHFFFAOYSA-N
MW267.26 g/mol
LogP2.10
Rot. Bonds4

About methyl 2-acetamido-5-acetyl-4-(fluoromethyl)benzoate

methyl 2-acetamido-5-acetyl-4-(fluoromethyl)benzoate (PubChem CID 70641026) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is methyl 2-acetamido-5-acetyl-4-(fluoromethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-acetamido-5-acetyl-4-(fluoromethyl)benzoate
PubChem CID70641026
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Namemethyl 2-acetamido-5-acetyl-4-(fluoromethyl)benzoate
SMILESCOC(=O)c1cc(C(C)=O)c(CF)cc1NC(C)=O
InChIInChI=1S/C13H14FNO4/c1-7(16)10-5-11(13(18)19-3)12(15-8(2)17)4-9(10)6-14/h4-5H,6H2,1-3H3,(H,15,17)
InChIKeyFQLVORDDFXFRQD-UHFFFAOYSA-N
XLogP2.10
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-acetamido-5-acetyl-4-(fluoromethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-acetamido-5-fluorobenzoate
CID 60786102
dimethyl 4-acetamidobenzene-1,3-dicarboxylate
CID 2802943
methyl 2-acetamido-5-propanoyl-4-(trifluoromethyl)benzoate
CID 59164507
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
methyl 2-acetamido-4-(iodooxymethyl)benzoate
CID 59363425
methyl 2-acetamido-4-(hydrazinecarbonyl)benzoate
CID 67050072
ethane;methyl 2-acetamido-4-chloro-5-methylbenzoate
CID 166531649
methyl 2-acetamido-4-chloro-5-iodobenzoate
CID 10689426
methyl 3-acetylazulene-1-carboxylate
CID 11241652
methyl 5-acetamido-2-(2-methoxy-2-oxoethyl)benzoate
CID 23364011
methyl 4-[(Z)-C-chloro-N-hydroxycarbonimidoyl]-2-(fluoromethyl)benzoate
CID 88860432
2-acetamido-4-methoxycarbonylbenzoic acid
CID 131862461

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-5-acetyl-4-(fluoromethyl)benzoate?
The IUPAC name of methyl 2-acetamido-5-acetyl-4-(fluoromethyl)benzoate (CID 70641026) is methyl 2-acetamido-5-acetyl-4-(fluoromethyl)benzoate.
What is the SMILES notation for methyl 2-acetamido-5-acetyl-4-(fluoromethyl)benzoate?
The canonical SMILES for methyl 2-acetamido-5-acetyl-4-(fluoromethyl)benzoate is COC(=O)c1cc(C(C)=O)c(CF)cc1NC(C)=O.
What is the InChIKey of methyl 2-acetamido-5-acetyl-4-(fluoromethyl)benzoate?
The InChIKey is FQLVORDDFXFRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c1-7(16)10-5-11(13(18)19-3)12(15-8(2)17)4-9(10)6-14/h4-5H,6H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-acetamido-5-acetyl-4-(fluoromethyl)benzoate?
methyl 2-acetamido-5-acetyl-4-(fluoromethyl)benzoate has a molecular weight of 267.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-5-acetyl-4-(fluoromethyl)benzoate is sourced from PubChem (CID 70641026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).