ethyl 4-acetamido-2-(4-chlorophenyl)benzoate

C17H16ClNO3 — CID 139893211

IUPACethyl 4-acetamido-2-(4-chlorophenyl)benzoate
SMILESCCOC(=O)c1ccc(NC(C)=O)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO3/c1-3-22-17(21)15-9-8-14(19-11(2)20)10-16(15)12-4-6-13(18)7-5-12/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyZHHFCNAVTKJNIP-UHFFFAOYSA-N
MW317.77 g/mol
LogP4.14
Rot. Bonds4

About ethyl 4-acetamido-2-(4-chlorophenyl)benzoate

ethyl 4-acetamido-2-(4-chlorophenyl)benzoate (PubChem CID 139893211) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is ethyl 4-acetamido-2-(4-chlorophenyl)benzoate.

Molecular Properties

Compound Nameethyl 4-acetamido-2-(4-chlorophenyl)benzoate
PubChem CID139893211
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Nameethyl 4-acetamido-2-(4-chlorophenyl)benzoate
SMILESCCOC(=O)c1ccc(NC(C)=O)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO3/c1-3-22-17(21)15-9-8-14(19-11(2)20)10-16(15)12-4-6-13(18)7-5-12/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyZHHFCNAVTKJNIP-UHFFFAOYSA-N
XLogP4.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741
ethyl 4-acetamido-2-aminobenzoate
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diethyl 4-chlorobenzene-1,2-dicarboxylate
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ethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate
CID 100589864
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CID 134688952
ethyl 2-chloro-4-[[(2S)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 92684423
diethyl 4-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate
CID 25094428
ethyl 2-chloro-4-[[(2R)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzoate
CID 28633008
ethyl 2-chloro-5-[(4-chlorophenyl)methylcarbamothioylamino]benzoate
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[4-amino-3-(4-chlorophenyl)phenyl]carbamic acid
CID 141369696

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetamido-2-(4-chlorophenyl)benzoate?
The IUPAC name of ethyl 4-acetamido-2-(4-chlorophenyl)benzoate (CID 139893211) is ethyl 4-acetamido-2-(4-chlorophenyl)benzoate.
What is the SMILES notation for ethyl 4-acetamido-2-(4-chlorophenyl)benzoate?
The canonical SMILES for ethyl 4-acetamido-2-(4-chlorophenyl)benzoate is CCOC(=O)c1ccc(NC(C)=O)cc1-c1ccc(Cl)cc1.
What is the InChIKey of ethyl 4-acetamido-2-(4-chlorophenyl)benzoate?
The InChIKey is ZHHFCNAVTKJNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-3-22-17(21)15-9-8-14(19-11(2)20)10-16(15)12-4-6-13(18)7-5-12/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of ethyl 4-acetamido-2-(4-chlorophenyl)benzoate?
ethyl 4-acetamido-2-(4-chlorophenyl)benzoate has a molecular weight of 317.77 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetamido-2-(4-chlorophenyl)benzoate is sourced from PubChem (CID 139893211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).