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

C17H16ClNO4 — CID 132591036

IUPACethyl 4-(4-acetamido-2-chlorophenoxy)benzoate
SMILESCCOC(=O)c1ccc(Oc2ccc(NC(C)=O)cc2Cl)cc1
InChIInChI=1S/C17H16ClNO4/c1-3-22-17(21)12-4-7-14(8-5-12)23-16-9-6-13(10-15(16)18)19-11(2)20/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeySXJQSYUWKQAOSP-UHFFFAOYSA-N
MW333.77 g/mol
LogP4.27
Rot. Bonds5

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

ethyl 4-(4-acetamido-2-chlorophenoxy)benzoate (PubChem CID 132591036) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is ethyl 4-(4-acetamido-2-chlorophenoxy)benzoate.

Molecular Properties

Compound Nameethyl 4-(4-acetamido-2-chlorophenoxy)benzoate
PubChem CID132591036
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Nameethyl 4-(4-acetamido-2-chlorophenoxy)benzoate
SMILESCCOC(=O)c1ccc(Oc2ccc(NC(C)=O)cc2Cl)cc1
InChIInChI=1S/C17H16ClNO4/c1-3-22-17(21)12-4-7-14(8-5-12)23-16-9-6-13(10-15(16)18)19-11(2)20/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeySXJQSYUWKQAOSP-UHFFFAOYSA-N
XLogP4.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-acetamidophenyl)benzoate
CID 134688952
ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate
CID 11654003
N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate
CID 23451831
ethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate
CID 172554704
ethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate
CID 3368957
ethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate
CID 23881279
2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 143182996
methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715
ethyl 3-acetamidobenzoate
CID 700589
ethyl 4-amino-3-(3,4-dichlorophenoxy)benzoate
CID 82775766
ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate
CID 92673889
ethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate
CID 109009936

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-acetamido-2-chlorophenoxy)benzoate?
The IUPAC name of ethyl 4-(4-acetamido-2-chlorophenoxy)benzoate (CID 132591036) is ethyl 4-(4-acetamido-2-chlorophenoxy)benzoate.
What is the SMILES notation for ethyl 4-(4-acetamido-2-chlorophenoxy)benzoate?
The canonical SMILES for ethyl 4-(4-acetamido-2-chlorophenoxy)benzoate is CCOC(=O)c1ccc(Oc2ccc(NC(C)=O)cc2Cl)cc1.
What is the InChIKey of ethyl 4-(4-acetamido-2-chlorophenoxy)benzoate?
The InChIKey is SXJQSYUWKQAOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-3-22-17(21)12-4-7-14(8-5-12)23-16-9-6-13(10-15(16)18)19-11(2)20/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of ethyl 4-(4-acetamido-2-chlorophenoxy)benzoate?
ethyl 4-(4-acetamido-2-chlorophenoxy)benzoate has a molecular weight of 333.77 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-acetamido-2-chlorophenoxy)benzoate is sourced from PubChem (CID 132591036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).