[4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate

C23H20ClNO4 — CID 8616393

IUPAC[4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1CC(=O)OCc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H20ClNO4/c1-28-21-12-11-19(24)13-18(21)14-22(26)29-15-16-7-9-17(10-8-16)23(27)25-20-5-3-2-4-6-20/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeySTDCVVCMZYMOJF-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.89
Rot. Bonds7

About [4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate

[4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate (PubChem CID 8616393) has the molecular formula C23H20ClNO4 and a molecular weight of 409.87 g/mol. Its IUPAC name is [4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate
PubChem CID8616393
Molecular FormulaC23H20ClNO4
Molecular Weight409.87 g/mol
Exact Mass409.11
IUPAC Name[4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1CC(=O)OCc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H20ClNO4/c1-28-21-12-11-19(24)13-18(21)14-22(26)29-15-16-7-9-17(10-8-16)23(27)25-20-5-3-2-4-6-20/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeySTDCVVCMZYMOJF-UHFFFAOYSA-N
XLogP4.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(phenylcarbamoyl)phenyl]methyl 2-(4-ethoxyphenyl)acetate
CID 18226760
(2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616446
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
(4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate
CID 27205283
[2-(4-benzamidophenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 30688450
N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243640
[2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615444
[2-(4-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615173
[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615244
N-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide
CID 71656387
N-(3-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243538
4-[(4-chlorophenyl)methoxy]-3-methoxy-N'-phenylbenzohydrazide
CID 78774841

Frequently Asked Questions

What is the IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate?
The IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate (CID 8616393) is [4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate.
What is the SMILES notation for [4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate?
The canonical SMILES for [4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate is COc1ccc(Cl)cc1CC(=O)OCc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of [4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate?
The InChIKey is STDCVVCMZYMOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO4/c1-28-21-12-11-19(24)13-18(21)14-22(26)29-15-16-7-9-17(10-8-16)23(27)25-20-5-3-2-4-6-20/h2-13H,14-15H2,1H3,(H,25,27).
What are the key properties of [4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate?
[4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate has a molecular weight of 409.87 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate is sourced from PubChem (CID 8616393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).