[2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate

C22H18ClNO4 — CID 7653462

IUPAC[2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
SMILESO=C(COC(=O)c1ccccc1COc1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C22H18ClNO4/c23-19-12-6-7-13-20(19)24-21(25)15-28-22(26)18-11-5-4-8-16(18)14-27-17-9-2-1-3-10-17/h1-13H,14-15H2,(H,24,25)
InChIKeyJDKMVCIOCDUZEF-UHFFFAOYSA-N
MW395.84 g/mol
LogP4.71
Rot. Bonds7

About [2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate

[2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate (PubChem CID 7653462) has the molecular formula C22H18ClNO4 and a molecular weight of 395.84 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
PubChem CID7653462
Molecular FormulaC22H18ClNO4
Molecular Weight395.84 g/mol
Exact Mass395.09
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
SMILESO=C(COC(=O)c1ccccc1COc1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C22H18ClNO4/c23-19-12-6-7-13-20(19)24-21(25)15-28-22(26)18-11-5-4-8-16(18)14-27-17-9-2-1-3-10-17/h1-13H,14-15H2,(H,24,25)
InChIKeyJDKMVCIOCDUZEF-UHFFFAOYSA-N
XLogP4.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949320
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949403
[2-(2-chloroanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468770
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 18105543
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate
CID 7949334
[2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515590
(2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate
CID 7949384
2-[[4-[(2-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid
CID 20986440
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7653570
[2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578232
[2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619875
ethyl 2-(phenoxymethyl)benzoate
CID 14674220

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate (CID 7653462) is [2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate is O=C(COC(=O)c1ccccc1COc1ccccc1)Nc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate?
The InChIKey is JDKMVCIOCDUZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4/c23-19-12-6-7-13-20(19)24-21(25)15-28-22(26)18-11-5-4-8-16(18)14-27-17-9-2-1-3-10-17/h1-13H,14-15H2,(H,24,25).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate?
[2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate has a molecular weight of 395.84 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate is sourced from PubChem (CID 7653462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).