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

C16H13ClFN3O4 — CID 2096899

IUPAC[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1F)Nc1cccnc1Cl
InChIInChI=1S/C16H13ClFN3O4/c17-15-12(6-3-7-19-15)21-13(22)9-25-14(23)8-20-16(24)10-4-1-2-5-11(10)18/h1-7H,8-9H2,(H,20,24)(H,21,22)
InChIKeyKEFCGJFMFBEHRC-UHFFFAOYSA-N
MW365.75 g/mol
LogP1.79
Rot. Bonds6

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

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 2096899) has the molecular formula C16H13ClFN3O4 and a molecular weight of 365.75 g/mol. Its IUPAC name is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID2096899
Molecular FormulaC16H13ClFN3O4
Molecular Weight365.75 g/mol
Exact Mass365.06
IUPAC Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1F)Nc1cccnc1Cl
InChIInChI=1S/C16H13ClFN3O4/c17-15-12(6-3-7-19-15)21-13(22)9-25-14(23)8-20-16(24)10-4-1-2-5-11(10)18/h1-7H,8-9H2,(H,20,24)(H,21,22)
InChIKeyKEFCGJFMFBEHRC-UHFFFAOYSA-N
XLogP1.79
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.75
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Ica-27243
CID 9903497
Ztz240
CID 3780776
3-chloro-N-(6-chloro-3-pyridinyl)-4-fluorobenzamide
CID 9903944
2-Fluoro-N-[(E)-1-(morpholine-4-carbonyl)-2-pyridin-3-yl-vinyl]-benzamide
CID 1835917
[2-[(2-Chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate
CID 2093527
[2-[(2-Chloropyridin-3-yl)amino]-2-oxoethyl] 3,5-difluorobenzoate
CID 2571647
4-chloro-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide
CID 9878951
N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)pyridin-3-yl]-3-(difluoromethyl)benzamide
CID 117609767
N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609835
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2377530
[2-[(2-Chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 2488101
3-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 3241051

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 2096899) is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1cccnc1Cl.
What is the InChIKey of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is KEFCGJFMFBEHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O4/c17-15-12(6-3-7-19-15)21-13(22)9-25-14(23)8-20-16(24)10-4-1-2-5-11(10)18/h1-7H,8-9H2,(H,20,24)(H,21,22).
What are the key properties of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 365.75 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 2096899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).