[2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate

C17H14Cl2N2O4 — CID 2625515

IUPAC[2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H14Cl2N2O4/c18-12-7-4-8-13(19)16(12)21-14(22)10-25-15(23)9-20-17(24)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,20,24)(H,21,22)
InChIKeyPNPHYPYFHBITMK-UHFFFAOYSA-N
MW381.22 g/mol
LogP2.91
Rot. Bonds6

About [2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate

[2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate (PubChem CID 2625515) has the molecular formula C17H14Cl2N2O4 and a molecular weight of 381.22 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate
PubChem CID2625515
Molecular FormulaC17H14Cl2N2O4
Molecular Weight381.22 g/mol
Exact Mass380.03
IUPAC Name[2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H14Cl2N2O4/c18-12-7-4-8-13(19)16(12)21-14(22)10-25-15(23)9-20-17(24)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,20,24)(H,21,22)
InChIKeyPNPHYPYFHBITMK-UHFFFAOYSA-N
XLogP2.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625469
[2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625531
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-benzamidoacetate
CID 7780766
methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate
CID 7783383
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 3-benzamidobutanoate
CID 46819628
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
CID 113001418
[2-(2-chloroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523975
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 35985498
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 7783318
(2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate
CID 954138
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 3273541

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate?
The IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate (CID 2625515) is [2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate is O=C(COC(=O)CNC(=O)c1ccccc1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is PNPHYPYFHBITMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O4/c18-12-7-4-8-13(19)16(12)21-14(22)10-25-15(23)9-20-17(24)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,20,24)(H,21,22).
What are the key properties of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate?
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 381.22 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate is sourced from PubChem (CID 2625515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).