(4-chlorophenyl)methyl 4-acetamidobenzoate

C16H14ClNO3 — CID 902754

IUPAC(4-chlorophenyl)methyl 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO3/c1-11(19)18-15-8-4-13(5-9-15)16(20)21-10-12-2-6-14(17)7-3-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyQTJLMERRRHDBDM-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.66
Rot. Bonds4

About (4-chlorophenyl)methyl 4-acetamidobenzoate

(4-chlorophenyl)methyl 4-acetamidobenzoate (PubChem CID 902754) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 4-acetamidobenzoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 4-acetamidobenzoate
PubChem CID902754
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name(4-chlorophenyl)methyl 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO3/c1-11(19)18-15-8-4-13(5-9-15)16(20)21-10-12-2-6-14(17)7-3-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyQTJLMERRRHDBDM-UHFFFAOYSA-N
XLogP3.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 4-acetamidobenzoate?
The IUPAC name of (4-chlorophenyl)methyl 4-acetamidobenzoate (CID 902754) is (4-chlorophenyl)methyl 4-acetamidobenzoate.
What is the SMILES notation for (4-chlorophenyl)methyl 4-acetamidobenzoate?
The canonical SMILES for (4-chlorophenyl)methyl 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 4-acetamidobenzoate?
The InChIKey is QTJLMERRRHDBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-11(19)18-15-8-4-13(5-9-15)16(20)21-10-12-2-6-14(17)7-3-12/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of (4-chlorophenyl)methyl 4-acetamidobenzoate?
(4-chlorophenyl)methyl 4-acetamidobenzoate has a molecular weight of 303.75 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 4-acetamidobenzoate is sourced from PubChem (CID 902754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).