N-[[3-[(E)-(1-acetyl-6-fluoro-2-oxoindol-3-ylidene)-methoxymethyl]phenyl]methyl]acetamide

C21H19FN2O4 — CID 68678315

IUPACN-[[3-[(E)-(1-acetyl-6-fluoro-2-oxoindol-3-ylidene)-methoxymethyl]phenyl]methyl]acetamide
SMILESCO/C(=C1/C(=O)N(C(C)=O)c2cc(F)ccc21)c1cccc(CNC(C)=O)c1
InChIInChI=1S/C21H19FN2O4/c1-12(25)23-11-14-5-4-6-15(9-14)20(28-3)19-17-8-7-16(22)10-18(17)24(13(2)26)21(19)27/h4-10H,11H2,1-3H3,(H,23,25)/b20-19+
InChIKeyIZRSCYGLWHARLD-FMQUCBEESA-N
MW382.39 g/mol
LogP2.87
Rot. Bonds4

About N-[[3-[(E)-(1-acetyl-6-fluoro-2-oxoindol-3-ylidene)-methoxymethyl]phenyl]methyl]acetamide

N-[[3-[(E)-(1-acetyl-6-fluoro-2-oxoindol-3-ylidene)-methoxymethyl]phenyl]methyl]acetamide (PubChem CID 68678315) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[[3-[(E)-(1-acetyl-6-fluoro-2-oxoindol-3-ylidene)-methoxymethyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[(E)-(1-acetyl-6-fluoro-2-oxoindol-3-ylidene)-methoxymethyl]phenyl]methyl]acetamide
PubChem CID68678315
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC NameN-[[3-[(E)-(1-acetyl-6-fluoro-2-oxoindol-3-ylidene)-methoxymethyl]phenyl]methyl]acetamide
SMILESCO/C(=C1/C(=O)N(C(C)=O)c2cc(F)ccc21)c1cccc(CNC(C)=O)c1
InChIInChI=1S/C21H19FN2O4/c1-12(25)23-11-14-5-4-6-15(9-14)20(28-3)19-17-8-7-16(22)10-18(17)24(13(2)26)21(19)27/h4-10H,11H2,1-3H3,(H,23,25)/b20-19+
InChIKeyIZRSCYGLWHARLD-FMQUCBEESA-N
XLogP2.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3E)-1-acetyl-6-fluoro-3-[(4-iodophenyl)-methoxymethylidene]indol-2-one
CID 68676430
tert-butyl N-[2-[4-[(1-acetyl-6-fluoro-2-oxoindol-3-ylidene)-methoxymethyl]phenyl]ethyl]carbamate
CID 68677321
methyl 1-acetyl-3-[[3-(3-ethoxy-3-oxopropyl)phenyl]-methoxymethylidene]-2-oxoindole-6-carboxylate
CID 67454207
methyl 3-(acetamidomethyl)benzoate
CID 20717921
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190
3-[[(3E)-3-[(4-chlorophenyl)-phenylmethylidene]-6-fluoro-2-oxoindol-1-yl]methyl]benzoic acid
CID 51034207
methyl 3-[(4-fluoroanilino)methyl]benzoate
CID 86720703
methyl 3-(hydrazinylmethyl)benzoate;hydrochloride
CID 67019529
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide
CID 23240473
N-[[3-[[3-(acetamidomethyl)phenyl]disulfanyl]phenyl]methyl]acetamide
CID 118256362
[3-(acetamidomethyl)phenyl]-methyltin
CID 59658577

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(E)-(1-acetyl-6-fluoro-2-oxoindol-3-ylidene)-methoxymethyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[(E)-(1-acetyl-6-fluoro-2-oxoindol-3-ylidene)-methoxymethyl]phenyl]methyl]acetamide (CID 68678315) is N-[[3-[(E)-(1-acetyl-6-fluoro-2-oxoindol-3-ylidene)-methoxymethyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[(E)-(1-acetyl-6-fluoro-2-oxoindol-3-ylidene)-methoxymethyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[(E)-(1-acetyl-6-fluoro-2-oxoindol-3-ylidene)-methoxymethyl]phenyl]methyl]acetamide is CO/C(=C1/C(=O)N(C(C)=O)c2cc(F)ccc21)c1cccc(CNC(C)=O)c1.
What is the InChIKey of N-[[3-[(E)-(1-acetyl-6-fluoro-2-oxoindol-3-ylidene)-methoxymethyl]phenyl]methyl]acetamide?
The InChIKey is IZRSCYGLWHARLD-FMQUCBEESA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-12(25)23-11-14-5-4-6-15(9-14)20(28-3)19-17-8-7-16(22)10-18(17)24(13(2)26)21(19)27/h4-10H,11H2,1-3H3,(H,23,25)/b20-19+.
What are the key properties of N-[[3-[(E)-(1-acetyl-6-fluoro-2-oxoindol-3-ylidene)-methoxymethyl]phenyl]methyl]acetamide?
N-[[3-[(E)-(1-acetyl-6-fluoro-2-oxoindol-3-ylidene)-methoxymethyl]phenyl]methyl]acetamide has a molecular weight of 382.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(E)-(1-acetyl-6-fluoro-2-oxoindol-3-ylidene)-methoxymethyl]phenyl]methyl]acetamide is sourced from PubChem (CID 68678315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).