[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate

C17H12ClF4N3O4 — CID 2433334

IUPAC[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1cccc(F)c1)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H12ClF4N3O4/c18-12-5-10(17(20,21)22)6-23-15(12)25-13(26)8-29-14(27)7-24-16(28)9-2-1-3-11(19)4-9/h1-6H,7-8H2,(H,24,28)(H,23,25,26)
InChIKeyRCTPBCCWADRBHH-UHFFFAOYSA-N
MW433.75 g/mol
LogP2.80
Rot. Bonds6

About [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate

[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate (PubChem CID 2433334) has the molecular formula C17H12ClF4N3O4 and a molecular weight of 433.75 g/mol. Its IUPAC name is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
PubChem CID2433334
Molecular FormulaC17H12ClF4N3O4
Molecular Weight433.75 g/mol
Exact Mass433.05
IUPAC Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1cccc(F)c1)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H12ClF4N3O4/c18-12-5-10(17(20,21)22)6-23-15(12)25-13(26)8-29-14(27)7-24-16(28)9-2-1-3-11(19)4-9/h1-6H,7-8H2,(H,24,28)(H,23,25,26)
InChIKeyRCTPBCCWADRBHH-UHFFFAOYSA-N
XLogP2.80
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.75
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3-fluorobenzoate
CID 2385544
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 2434069
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 2385423
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662792
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548549
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662788
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pentanoate
CID 2405035
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548489
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-methylpropanoate
CID 2404388
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 16598734
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 2377984
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 2376998

Frequently Asked Questions

What is the IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate (CID 2433334) is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1cccc(F)c1)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The InChIKey is RCTPBCCWADRBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF4N3O4/c18-12-5-10(17(20,21)22)6-23-15(12)25-13(26)8-29-14(27)7-24-16(28)9-2-1-3-11(19)4-9/h1-6H,7-8H2,(H,24,28)(H,23,25,26).
What are the key properties of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate has a molecular weight of 433.75 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 2433334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).