(E)-3-[4-[[(3Z)-5-chloro-3-methoxyimino-2-oxoindol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide

C19H16ClN3O4 — CID 142732110

IUPAC(E)-3-[4-[[(3Z)-5-chloro-3-methoxyimino-2-oxoindol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCO/N=C1\C(=O)N(Cc2ccc(/C=C/C(=O)NO)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C19H16ClN3O4/c1-27-22-18-15-10-14(20)7-8-16(15)23(19(18)25)11-13-4-2-12(3-5-13)6-9-17(24)21-26/h2-10,26H,11H2,1H3,(H,21,24)/b9-6+,22-18-
InChIKeyYDKPGQZFCJIBHO-UAWJGFCLSA-N
MW385.81 g/mol
LogP2.76
Rot. Bonds5

About (E)-3-[4-[[(3Z)-5-chloro-3-methoxyimino-2-oxoindol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[[(3Z)-5-chloro-3-methoxyimino-2-oxoindol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 142732110) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is (E)-3-[4-[[(3Z)-5-chloro-3-methoxyimino-2-oxoindol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[[(3Z)-5-chloro-3-methoxyimino-2-oxoindol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID142732110
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Name(E)-3-[4-[[(3Z)-5-chloro-3-methoxyimino-2-oxoindol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCO/N=C1\C(=O)N(Cc2ccc(/C=C/C(=O)NO)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C19H16ClN3O4/c1-27-22-18-15-10-14(20)7-8-16(15)23(19(18)25)11-13-4-2-12(3-5-13)6-9-17(24)21-26/h2-10,26H,11H2,1H3,(H,21,24)/b9-6+,22-18-
InChIKeyYDKPGQZFCJIBHO-UAWJGFCLSA-N
XLogP2.76
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[[(3Z)-5-chloro-3-methoxyimino-2-oxoindol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[[(3Z)-5-chloro-3-methoxyimino-2-oxoindol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide (CID 142732110) is (E)-3-[4-[[(3Z)-5-chloro-3-methoxyimino-2-oxoindol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[[(3Z)-5-chloro-3-methoxyimino-2-oxoindol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[[(3Z)-5-chloro-3-methoxyimino-2-oxoindol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide is CO/N=C1\C(=O)N(Cc2ccc(/C=C/C(=O)NO)cc2)c2ccc(Cl)cc21.
What is the InChIKey of (E)-3-[4-[[(3Z)-5-chloro-3-methoxyimino-2-oxoindol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is YDKPGQZFCJIBHO-UAWJGFCLSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c1-27-22-18-15-10-14(20)7-8-16(15)23(19(18)25)11-13-4-2-12(3-5-13)6-9-17(24)21-26/h2-10,26H,11H2,1H3,(H,21,24)/b9-6+,22-18-.
What are the key properties of (E)-3-[4-[[(3Z)-5-chloro-3-methoxyimino-2-oxoindol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[[(3Z)-5-chloro-3-methoxyimino-2-oxoindol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 385.81 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[(3Z)-5-chloro-3-methoxyimino-2-oxoindol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 142732110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).