[2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate

C23H19NO4 — CID 2621778

IUPAC[2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate
SMILESCc1cccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)c1
InChIInChI=1S/C23H19NO4/c1-16-8-7-11-18(14-16)24-21(25)15-28-23(27)20-13-6-5-12-19(20)22(26)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,24,25)
InChIKeyKKYIDVPPEPXRCR-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.02
Rot. Bonds6

About [2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate

[2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate (PubChem CID 2621778) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate
PubChem CID2621778
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name[2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate
SMILESCc1cccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)c1
InChIInChI=1S/C23H19NO4/c1-16-8-7-11-18(14-16)24-21(25)15-28-23(27)20-13-6-5-12-19(20)22(26)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,24,25)
InChIKeyKKYIDVPPEPXRCR-UHFFFAOYSA-N
XLogP4.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7764296
[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3493766
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7865594
[2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate
CID 2624326
[2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621873
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2371288
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605601
[2-(3-methylanilino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725213
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 71905011
[2-(4-iodoanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2335613
[2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628228
[2-(3-methylanilino)-2-oxoethyl] 3-iodobenzoate
CID 2555783

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate (CID 2621778) is [2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate is Cc1cccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)c1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate?
The InChIKey is KKYIDVPPEPXRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-16-8-7-11-18(14-16)24-21(25)15-28-23(27)20-13-6-5-12-19(20)22(26)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,24,25).
What are the key properties of [2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate?
[2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate has a molecular weight of 373.41 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate is sourced from PubChem (CID 2621778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).