[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate

C19H13Cl2N3O5 — CID 2339852

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C19H13Cl2N3O5/c20-11-8-13(21)17(22-9-11)24-16(25)10-29-19(27)12-4-1-2-5-14(12)23-18(26)15-6-3-7-28-15/h1-9H,10H2,(H,23,26)(H,22,24,25)
InChIKeyPYKKUVWFBVHGLR-UHFFFAOYSA-N
MW434.24 g/mol
LogP4.03
Rot. Bonds6

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate (PubChem CID 2339852) has the molecular formula C19H13Cl2N3O5 and a molecular weight of 434.24 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
PubChem CID2339852
Molecular FormulaC19H13Cl2N3O5
Molecular Weight434.24 g/mol
Exact Mass433.02
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C19H13Cl2N3O5/c20-11-8-13(21)17(22-9-11)24-16(25)10-29-19(27)12-4-1-2-5-14(12)23-18(26)15-6-3-7-28-15/h1-9H,10H2,(H,23,26)(H,22,24,25)
InChIKeyPYKKUVWFBVHGLR-UHFFFAOYSA-N
XLogP4.03
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.24
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate 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

N-(3-chloropyridin-2-yl)-1-benzofuran-2-carboxamide
CID 949440
5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)-2-furamide
CID 725940
Furan-2-carboxylic acid [6-(2-methoxy-benzoylamino)-pyridin-3-yl]-amide
CID 1449289
Furan-2-carboxylic acid [5-(2-fluoro-benzoylamino)-pyridin-2-yl]-amide
CID 1452813
Furan-2-carboxylic acid [5-(3-fluoro-benzoylamino)-pyridin-2-yl]-amide
CID 1452814
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 2096277
N-[2-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 722974
N-(5-chloropyridin-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 738360
N-(5-chloropyridin-2-yl)-1-benzofuran-2-carboxamide
CID 673886
N-{4-[(4-methylpyridin-2-yl)carbamoyl]phenyl}furan-2-carboxamide
CID 1262407
Furan-2-carboxylic acid [4-methyl-5-(3-phenyl-propionylamino)-pyridin-2-yl]-amide
CID 645020
Furan-2-carboxylic acid (6-benzoylamino-4-methyl-pyridin-3-yl)-amide
CID 645254

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate (CID 2339852) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate is O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
The InChIKey is PYKKUVWFBVHGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O5/c20-11-8-13(21)17(22-9-11)24-16(25)10-29-19(27)12-4-1-2-5-14(12)23-18(26)15-6-3-7-28-15/h1-9H,10H2,(H,23,26)(H,22,24,25).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate has a molecular weight of 434.24 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 2339852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).