[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate

C22H17ClF3N3O5 — CID 4179994

IUPAC[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESO=C(COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C22H17ClF3N3O5/c23-15-10-14(22(24,25)26)11-27-19(15)29-18(30)12-34-21(32)16(9-13-5-2-1-3-6-13)28-20(31)17-7-4-8-33-17/h1-8,10-11,16H,9,12H2,(H,28,31)(H,27,29,30)
InChIKeyBTCLWYAVSZAPNO-UHFFFAOYSA-N
MW495.84 g/mol
LogP3.87
Rot. Bonds8

About [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate

[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 4179994) has the molecular formula C22H17ClF3N3O5 and a molecular weight of 495.84 g/mol. Its IUPAC name is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID4179994
Molecular FormulaC22H17ClF3N3O5
Molecular Weight495.84 g/mol
Exact Mass495.08
IUPAC Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESO=C(COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C22H17ClF3N3O5/c23-15-10-14(22(24,25)26)11-27-19(15)29-18(30)12-34-21(32)16(9-13-5-2-1-3-6-13)28-20(31)17-7-4-8-33-17/h1-8,10-11,16H,9,12H2,(H,28,31)(H,27,29,30)
InChIKeyBTCLWYAVSZAPNO-UHFFFAOYSA-N
XLogP3.87
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.84
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 4584496
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 2398164
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-methylpropanoate
CID 2404388
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567017
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 2385423
[2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7858566
[2-(1,2-diphenylethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55929358
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 2376998
[2-oxo-2-(propylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567045
N-[(2S)-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 32642442
[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 5109807
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560

Frequently Asked Questions

What is the IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 4179994) is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate is O=C(COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is BTCLWYAVSZAPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N3O5/c23-15-10-14(22(24,25)26)11-27-19(15)29-18(30)12-34-21(32)16(9-13-5-2-1-3-6-13)28-20(31)17-7-4-8-33-17/h1-8,10-11,16H,9,12H2,(H,28,31)(H,27,29,30).
What are the key properties of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate?
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 495.84 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 4179994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).