[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

C15H10ClF3N2O4 — CID 2406993

IUPAC[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccco1)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3N2O4/c16-11-6-9(15(17,18)19)7-20-14(11)21-12(22)8-25-13(23)4-3-10-2-1-5-24-10/h1-7H,8H2,(H,20,21,22)/b4-3+
InChIKeyFVHPVRJOGVLGHY-ONEGZZNKSA-N
MW374.70 g/mol
LogP3.54
Rot. Bonds5

About [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 2406993) has the molecular formula C15H10ClF3N2O4 and a molecular weight of 374.70 g/mol. Its IUPAC name is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID2406993
Molecular FormulaC15H10ClF3N2O4
Molecular Weight374.70 g/mol
Exact Mass374.03
IUPAC Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccco1)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3N2O4/c16-11-6-9(15(17,18)19)7-20-14(11)21-12(22)8-25-13(23)4-3-10-2-1-5-24-10/h1-7H,8H2,(H,20,21,22)/b4-3+
InChIKeyFVHPVRJOGVLGHY-ONEGZZNKSA-N
XLogP3.54
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.70
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 2096277
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2545117
2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl 2-furoate
CID 2586389
[1-[(5-Chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 3433652
[1-[(3,5-Dichloropyridin-2-yl)amino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 16303347
N-(5-chloro-2-pyridinyl)-5-[(2,2,3,3-tetrafluoropropoxy)methyl]-2-furamide
CID 1091771
3-(2-furyl)-N-(5-methyl-2-pyridinyl)acrylamide
CID 898228
N-(3-methylpyridin-2-yl)furan-2-carboxamide
CID 3602278
5-chloro-N-(4-methylpyridin-2-yl)furan-2-carboxamide
CID 30138657
N-(5-methylpyridin-2-yl)furan-2-carboxamide
CID 835267
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2375592
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 2386496

Frequently Asked Questions

What is the IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (CID 2406993) is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is O=C(COC(=O)/C=C/c1ccco1)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is FVHPVRJOGVLGHY-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H10ClF3N2O4/c16-11-6-9(15(17,18)19)7-20-14(11)21-12(22)8-25-13(23)4-3-10-2-1-5-24-10/h1-7H,8H2,(H,20,21,22)/b4-3+.
What are the key properties of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 374.70 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 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] (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 2406993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).