methyl 2-acetamido-4-chloro-3-phenylbenzoate

C16H14ClNO3 — CID 140992761

IUPACmethyl 2-acetamido-4-chloro-3-phenylbenzoate
SMILESCOC(=O)c1ccc(Cl)c(-c2ccccc2)c1NC(C)=O
InChIInChI=1S/C16H14ClNO3/c1-10(19)18-15-12(16(20)21-2)8-9-13(17)14(15)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,18,19)
InChIKeyZRWVXYCXRWCKLT-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.75
Rot. Bonds3

About methyl 2-acetamido-4-chloro-3-phenylbenzoate

methyl 2-acetamido-4-chloro-3-phenylbenzoate (PubChem CID 140992761) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is methyl 2-acetamido-4-chloro-3-phenylbenzoate.

Molecular Properties

Compound Namemethyl 2-acetamido-4-chloro-3-phenylbenzoate
PubChem CID140992761
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Namemethyl 2-acetamido-4-chloro-3-phenylbenzoate
SMILESCOC(=O)c1ccc(Cl)c(-c2ccccc2)c1NC(C)=O
InChIInChI=1S/C16H14ClNO3/c1-10(19)18-15-12(16(20)21-2)8-9-13(17)14(15)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,18,19)
InChIKeyZRWVXYCXRWCKLT-UHFFFAOYSA-N
XLogP3.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-4-chloro-3-phenylbenzoate?
The IUPAC name of methyl 2-acetamido-4-chloro-3-phenylbenzoate (CID 140992761) is methyl 2-acetamido-4-chloro-3-phenylbenzoate.
What is the SMILES notation for methyl 2-acetamido-4-chloro-3-phenylbenzoate?
The canonical SMILES for methyl 2-acetamido-4-chloro-3-phenylbenzoate is COC(=O)c1ccc(Cl)c(-c2ccccc2)c1NC(C)=O.
What is the InChIKey of methyl 2-acetamido-4-chloro-3-phenylbenzoate?
The InChIKey is ZRWVXYCXRWCKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-10(19)18-15-12(16(20)21-2)8-9-13(17)14(15)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,18,19).
What are the key properties of methyl 2-acetamido-4-chloro-3-phenylbenzoate?
methyl 2-acetamido-4-chloro-3-phenylbenzoate has a molecular weight of 303.75 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-4-chloro-3-phenylbenzoate is sourced from PubChem (CID 140992761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).