[2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate

C23H18ClNO4 — CID 2715062

IUPAC[2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
SMILESCN(C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C23H18ClNO4/c1-25(18-7-3-2-4-8-18)21(26)15-29-23(28)20-10-6-5-9-19(20)22(27)16-11-13-17(24)14-12-16/h2-14H,15H2,1H3
InChIKeyFSNWLCZSEKNBSF-UHFFFAOYSA-N
MW407.85 g/mol
LogP4.39
Rot. Bonds6

About [2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate

[2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate (PubChem CID 2715062) has the molecular formula C23H18ClNO4 and a molecular weight of 407.85 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
PubChem CID2715062
Molecular FormulaC23H18ClNO4
Molecular Weight407.85 g/mol
Exact Mass407.09
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
SMILESCN(C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C23H18ClNO4/c1-25(18-7-3-2-4-8-18)21(26)15-29-23(28)20-10-6-5-9-19(20)22(27)16-11-13-17(24)14-12-16/h2-14H,15H2,1H3
InChIKeyFSNWLCZSEKNBSF-UHFFFAOYSA-N
XLogP4.39
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenacyl 2-(4-chlorobenzoyl)benzoate
CID 2586328
benzyl 2-(4-chlorobenzoyl)benzoate
CID 2375754
[2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519333
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 5123376
[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 23793601
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate
CID 2630638
[2-(N-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2407310
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2630625
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7612366
[2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate
CID 134104348
decyl 2-(4-chlorobenzoyl)benzoate
CID 175281654
[2-(N-methylanilino)-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 71823629

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate (CID 2715062) is [2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate is CN(C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The InChIKey is FSNWLCZSEKNBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO4/c1-25(18-7-3-2-4-8-18)21(26)15-29-23(28)20-10-6-5-9-19(20)22(27)16-11-13-17(24)14-12-16/h2-14H,15H2,1H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
[2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate has a molecular weight of 407.85 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate is sourced from PubChem (CID 2715062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).