[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate

C23H19ClN2O5 — CID 55359068

IUPAC[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
SMILESCOc1ccc(NC(=O)C(OC(=O)c2ccc(C(N)=O)cc2)c2ccccc2)cc1Cl
InChIInChI=1S/C23H19ClN2O5/c1-30-19-12-11-17(13-18(19)24)26-22(28)20(14-5-3-2-4-6-14)31-23(29)16-9-7-15(8-10-16)21(25)27/h2-13,20H,1H3,(H2,25,27)(H,26,28)
InChIKeyCTLNPSQAKQGMEP-UHFFFAOYSA-N
MW438.87 g/mol
LogP3.98
Rot. Bonds7

About [2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate

[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate (PubChem CID 55359068) has the molecular formula C23H19ClN2O5 and a molecular weight of 438.87 g/mol. Its IUPAC name is [2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate.

Molecular Properties

Compound Name[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
PubChem CID55359068
Molecular FormulaC23H19ClN2O5
Molecular Weight438.87 g/mol
Exact Mass438.10
IUPAC Name[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
SMILESCOc1ccc(NC(=O)C(OC(=O)c2ccc(C(N)=O)cc2)c2ccccc2)cc1Cl
InChIInChI=1S/C23H19ClN2O5/c1-30-19-12-11-17(13-18(19)24)26-22(28)20(14-5-3-2-4-6-14)31-23(29)16-9-7-15(8-10-16)21(25)27/h2-13,20H,1H3,(H2,25,27)(H,26,28)
InChIKeyCTLNPSQAKQGMEP-UHFFFAOYSA-N
XLogP3.98
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.87
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate
CID 7789747
[(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 1,3-benzodioxole-5-carboxylate
CID 2465836
[(1R)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 2631542
[(1R)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 1-oxidopyridin-1-ium-2-carboxylate
CID 7774236
N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide
CID 108501263
[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] quinoline-2-carboxylate
CID 4783463
4-[(2-methoxy-2-phenylacetyl)amino]benzamide
CID 2896452
[(1R)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-oxochromene-2-carboxylate
CID 2417094
[(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 30929559
(2R)-2-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2392261
2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 4879709
[(1R)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 5-nitrofuran-2-carboxylate
CID 2411199

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate?
The IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate (CID 55359068) is [2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate.
What is the SMILES notation for [2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate?
The canonical SMILES for [2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate is COc1ccc(NC(=O)C(OC(=O)c2ccc(C(N)=O)cc2)c2ccccc2)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate?
The InChIKey is CTLNPSQAKQGMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O5/c1-30-19-12-11-17(13-18(19)24)26-22(28)20(14-5-3-2-4-6-14)31-23(29)16-9-7-15(8-10-16)21(25)27/h2-13,20H,1H3,(H2,25,27)(H,26,28).
What are the key properties of [2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate?
[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate has a molecular weight of 438.87 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate is sourced from PubChem (CID 55359068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).