2-cyano-N-[(Z)-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(furan-2-yl)ethylidene]amino]acetamide

C17H12Cl2N4O4 — CID 92530343

IUPAC2-cyano-N-[(Z)-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(furan-2-yl)ethylidene]amino]acetamide
SMILESN#CCC(=O)N/N=C(/C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccco1
InChIInChI=1S/C17H12Cl2N4O4/c18-9-3-4-10(19)15-14(9)17(26,16(25)21-15)8-11(12-2-1-7-27-12)22-23-13(24)5-6-20/h1-4,7,26H,5,8H2,(H,21,25)(H,23,24)/b22-11-/t17-/m1/s1
InChIKeyMNZABRQENXPLLL-FIJRTHIRSA-N
MW407.21 g/mol
LogP2.55
Rot. Bonds5

About 2-cyano-N-[(Z)-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(furan-2-yl)ethylidene]amino]acetamide

2-cyano-N-[(Z)-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(furan-2-yl)ethylidene]amino]acetamide (PubChem CID 92530343) has the molecular formula C17H12Cl2N4O4 and a molecular weight of 407.21 g/mol. Its IUPAC name is 2-cyano-N-[(Z)-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(furan-2-yl)ethylidene]amino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(Z)-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(furan-2-yl)ethylidene]amino]acetamide
PubChem CID92530343
Molecular FormulaC17H12Cl2N4O4
Molecular Weight407.21 g/mol
Exact Mass406.02
IUPAC Name2-cyano-N-[(Z)-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(furan-2-yl)ethylidene]amino]acetamide
SMILESN#CCC(=O)N/N=C(/C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccco1
InChIInChI=1S/C17H12Cl2N4O4/c18-9-3-4-10(19)15-14(9)17(26,16(25)21-15)8-11(12-2-1-7-27-12)22-23-13(24)5-6-20/h1-4,7,26H,5,8H2,(H,21,25)(H,23,24)/b22-11-/t17-/m1/s1
InChIKeyMNZABRQENXPLLL-FIJRTHIRSA-N
XLogP2.55
TPSA127.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.21
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-cyano-N-[(Z)-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(furan-2-yl)ethylidene]amino]acetamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 969721
2-cyano-N-[(E)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]acetamide
CID 6062814
2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5334027
2-cyano-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 2848867
2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide
CID 6287184
N-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide
CID 168521364
(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methylsulfonylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 121277286
(3R)-3-[2-(furan-2-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one
CID 694879
(3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 986259
4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
CID 12777142
5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 2961237
(3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid
CID 55250666

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(Z)-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(furan-2-yl)ethylidene]amino]acetamide?
The IUPAC name of 2-cyano-N-[(Z)-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(furan-2-yl)ethylidene]amino]acetamide (CID 92530343) is 2-cyano-N-[(Z)-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(furan-2-yl)ethylidene]amino]acetamide.
What is the SMILES notation for 2-cyano-N-[(Z)-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(furan-2-yl)ethylidene]amino]acetamide?
The canonical SMILES for 2-cyano-N-[(Z)-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(furan-2-yl)ethylidene]amino]acetamide is N#CCC(=O)N/N=C(/C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccco1.
What is the InChIKey of 2-cyano-N-[(Z)-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(furan-2-yl)ethylidene]amino]acetamide?
The InChIKey is MNZABRQENXPLLL-FIJRTHIRSA-N. The full InChI is InChI=1S/C17H12Cl2N4O4/c18-9-3-4-10(19)15-14(9)17(26,16(25)21-15)8-11(12-2-1-7-27-12)22-23-13(24)5-6-20/h1-4,7,26H,5,8H2,(H,21,25)(H,23,24)/b22-11-/t17-/m1/s1.
What are the key properties of 2-cyano-N-[(Z)-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(furan-2-yl)ethylidene]amino]acetamide?
2-cyano-N-[(Z)-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(furan-2-yl)ethylidene]amino]acetamide has a molecular weight of 407.21 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(Z)-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(furan-2-yl)ethylidene]amino]acetamide is sourced from PubChem (CID 92530343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).