methyl 2-(4-acetamidoanilino)benzoate

C16H16N2O3 — CID 112988409

IUPACmethyl 2-(4-acetamidoanilino)benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H16N2O3/c1-11(19)17-12-7-9-13(10-8-12)18-15-6-4-3-5-14(15)16(20)21-2/h3-10,18H,1-2H3,(H,17,19)
InChIKeyVHZMMIDQPILCNH-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.18
Rot. Bonds4

About methyl 2-(4-acetamidoanilino)benzoate

methyl 2-(4-acetamidoanilino)benzoate (PubChem CID 112988409) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl 2-(4-acetamidoanilino)benzoate.

Molecular Properties

Compound Namemethyl 2-(4-acetamidoanilino)benzoate
PubChem CID112988409
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Namemethyl 2-(4-acetamidoanilino)benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H16N2O3/c1-11(19)17-12-7-9-13(10-8-12)18-15-6-4-3-5-14(15)16(20)21-2/h3-10,18H,1-2H3,(H,17,19)
InChIKeyVHZMMIDQPILCNH-UHFFFAOYSA-N
XLogP3.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-benzamidoanilino)benzoate
CID 112988422
methyl 2-[4-(2-methylpropanoylamino)anilino]benzoate
CID 112988412
ethane;methyl 2-(4-methylanilino)benzoate
CID 91139504
methyl 2-[[6-(4-acetamidoanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878803
methyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate
CID 112988435
methyl 2-[4-(butanoylamino)anilino]benzoate
CID 112988411
methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112988416
ethane;2-(2-methoxycarbonylanilino)benzoic acid
CID 54418297
methyl 2-[4-(dimethylsulfamoylamino)anilino]benzoate
CID 112988468
methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate
CID 108992262
methyl 2-(2-oxopropanoylamino)benzoate
CID 82127719
methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199882

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-acetamidoanilino)benzoate?
The IUPAC name of methyl 2-(4-acetamidoanilino)benzoate (CID 112988409) is methyl 2-(4-acetamidoanilino)benzoate.
What is the SMILES notation for methyl 2-(4-acetamidoanilino)benzoate?
The canonical SMILES for methyl 2-(4-acetamidoanilino)benzoate is COC(=O)c1ccccc1Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of methyl 2-(4-acetamidoanilino)benzoate?
The InChIKey is VHZMMIDQPILCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11(19)17-12-7-9-13(10-8-12)18-15-6-4-3-5-14(15)16(20)21-2/h3-10,18H,1-2H3,(H,17,19).
What are the key properties of methyl 2-(4-acetamidoanilino)benzoate?
methyl 2-(4-acetamidoanilino)benzoate has a molecular weight of 284.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-acetamidoanilino)benzoate is sourced from PubChem (CID 112988409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).