[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate

C17H13Cl2FN2O4 — CID 8662788

IUPAC[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1cccc(F)c1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H13Cl2FN2O4/c18-11-4-5-13(19)14(7-11)22-15(23)9-26-16(24)8-21-17(25)10-2-1-3-12(20)6-10/h1-7H,8-9H2,(H,21,25)(H,22,23)
InChIKeyKNAGHSHXRYUCLO-UHFFFAOYSA-N
MW399.21 g/mol
LogP3.04
Rot. Bonds6

About [2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate

[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate (PubChem CID 8662788) has the molecular formula C17H13Cl2FN2O4 and a molecular weight of 399.21 g/mol. Its IUPAC name is [2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
PubChem CID8662788
Molecular FormulaC17H13Cl2FN2O4
Molecular Weight399.21 g/mol
Exact Mass398.02
IUPAC Name[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1cccc(F)c1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H13Cl2FN2O4/c18-11-4-5-13(19)14(7-11)22-15(23)9-26-16(24)8-21-17(25)10-2-1-3-12(20)6-10/h1-7H,8-9H2,(H,21,25)(H,22,23)
InChIKeyKNAGHSHXRYUCLO-UHFFFAOYSA-N
XLogP3.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.21
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662787
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548549
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662792
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548489
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide
CID 113001247
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 16533895
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882697
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662881
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854403
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662487
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2433334
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide
CID 113001009

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate (CID 8662788) is [2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1cccc(F)c1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The InChIKey is KNAGHSHXRYUCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN2O4/c18-11-4-5-13(19)14(7-11)22-15(23)9-26-16(24)8-21-17(25)10-2-1-3-12(20)6-10/h1-7H,8-9H2,(H,21,25)(H,22,23).
What are the key properties of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate has a molecular weight of 399.21 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 8662788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).