[2-(N-methylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate

C18H17ClN2O4 — CID 2380399

IUPAC[2-(N-methylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
SMILESCN(C(=O)COC(=O)CNC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H17ClN2O4/c1-21(13-7-3-2-4-8-13)16(22)12-25-17(23)11-20-18(24)14-9-5-6-10-15(14)19/h2-10H,11-12H2,1H3,(H,20,24)
InChIKeyFATQCAPBFBGAKZ-UHFFFAOYSA-N
MW360.80 g/mol
LogP2.28
Rot. Bonds6

About [2-(N-methylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate

[2-(N-methylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate (PubChem CID 2380399) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
PubChem CID2380399
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
SMILESCN(C(=O)COC(=O)CNC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H17ClN2O4/c1-21(13-7-3-2-4-8-13)16(22)12-25-17(23)11-20-18(24)14-9-5-6-10-15(14)19/h2-10H,11-12H2,1H3,(H,20,24)
InChIKeyFATQCAPBFBGAKZ-UHFFFAOYSA-N
XLogP2.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate (CID 2380399) is [2-(N-methylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate is CN(C(=O)COC(=O)CNC(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate?
The InChIKey is FATQCAPBFBGAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-21(13-7-3-2-4-8-13)16(22)12-25-17(23)11-20-18(24)14-9-5-6-10-15(14)19/h2-10H,11-12H2,1H3,(H,20,24).
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate?
[2-(N-methylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate has a molecular weight of 360.80 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 2380399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).