[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

C17H13ClF2N2O4 — CID 4802522

IUPAC[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H13ClF2N2O4/c18-12-7-10(19)5-6-14(12)22-15(23)9-26-16(24)8-21-17(25)11-3-1-2-4-13(11)20/h1-7H,8-9H2,(H,21,25)(H,22,23)
InChIKeyQCLMXFWIHCESIK-UHFFFAOYSA-N
MW382.75 g/mol
LogP2.53
Rot. Bonds6

About [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 4802522) has the molecular formula C17H13ClF2N2O4 and a molecular weight of 382.75 g/mol. Its IUPAC name is [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID4802522
Molecular FormulaC17H13ClF2N2O4
Molecular Weight382.75 g/mol
Exact Mass382.05
IUPAC Name[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H13ClF2N2O4/c18-12-7-10(19)5-6-14(12)22-15(23)9-26-16(24)8-21-17(25)11-3-1-2-4-13(11)20/h1-7H,8-9H2,(H,21,25)(H,22,23)
InChIKeyQCLMXFWIHCESIK-UHFFFAOYSA-N
XLogP2.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.75
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 4803693
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270497
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 16533895
[2-(3-chloroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602170
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 4801774
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548489
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 30314995
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270616
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270550
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662788
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7970750
[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602179

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 4802522) is [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccc(F)cc1Cl.
What is the InChIKey of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is QCLMXFWIHCESIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2O4/c18-12-7-10(19)5-6-14(12)22-15(23)9-26-16(24)8-21-17(25)11-3-1-2-4-13(11)20/h1-7H,8-9H2,(H,21,25)(H,22,23).
What are the key properties of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 382.75 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 4802522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).