[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate

C22H18ClNO4 — CID 7700481

IUPAC[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate
SMILESO=C(COC(=O)c1cccc(Oc2ccccc2)c1)NCc1cccc(Cl)c1
InChIInChI=1S/C22H18ClNO4/c23-18-8-4-6-16(12-18)14-24-21(25)15-27-22(26)17-7-5-11-20(13-17)28-19-9-2-1-3-10-19/h1-13H,14-15H2,(H,24,25)
InChIKeyIQKZMNSWXIATQS-UHFFFAOYSA-N
MW395.84 g/mol
LogP4.61
Rot. Bonds7

About [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate (PubChem CID 7700481) has the molecular formula C22H18ClNO4 and a molecular weight of 395.84 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate
PubChem CID7700481
Molecular FormulaC22H18ClNO4
Molecular Weight395.84 g/mol
Exact Mass395.09
IUPAC Name[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate
SMILESO=C(COC(=O)c1cccc(Oc2ccccc2)c1)NCc1cccc(Cl)c1
InChIInChI=1S/C22H18ClNO4/c23-18-8-4-6-16(12-18)14-24-21(25)15-27-22(26)17-7-5-11-20(13-17)28-19-9-2-1-3-10-19/h1-13H,14-15H2,(H,24,25)
InChIKeyIQKZMNSWXIATQS-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate
CID 7514858
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 8018219
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] benzoate
CID 7514894
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998640
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133481
[2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate
CID 2427068
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387076
[2-oxo-2-(3-phenylpropylamino)ethyl] 3-chlorobenzoate
CID 2504142
(2-anilino-2-oxoethyl) 3-phenoxybenzoate
CID 2511602
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-nitrobenzoate
CID 7834709
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 50929498

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate?
The IUPAC name of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate (CID 7700481) is [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate.
What is the SMILES notation for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate?
The canonical SMILES for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate is O=C(COC(=O)c1cccc(Oc2ccccc2)c1)NCc1cccc(Cl)c1.
What is the InChIKey of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate?
The InChIKey is IQKZMNSWXIATQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4/c23-18-8-4-6-16(12-18)14-24-21(25)15-27-22(26)17-7-5-11-20(13-17)28-19-9-2-1-3-10-19/h1-13H,14-15H2,(H,24,25).
What are the key properties of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate?
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate has a molecular weight of 395.84 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate is sourced from PubChem (CID 7700481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).