2-fluoro-N-[2-oxo-2-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]ethyl]benzamide

C21H21FN4O2 — CID 126163559

IUPAC2-fluoro-N-[2-oxo-2-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]ethyl]benzamide
SMILESCC(C)n1cc(/C=N\NC(=O)CNC(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C21H21FN4O2/c1-14(2)26-13-15(16-7-4-6-10-19(16)26)11-24-25-20(27)12-23-21(28)17-8-3-5-9-18(17)22/h3-11,13-14H,12H2,1-2H3,(H,23,28)(H,25,27)/b24-11-
InChIKeyPPONNWIRQWWCDD-MYKKPKGFSA-N
MW380.42 g/mol
LogP3.24
Rot. Bonds6

About 2-fluoro-N-[2-oxo-2-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]ethyl]benzamide

2-fluoro-N-[2-oxo-2-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]ethyl]benzamide (PubChem CID 126163559) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-fluoro-N-[2-oxo-2-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-oxo-2-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]ethyl]benzamide
PubChem CID126163559
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name2-fluoro-N-[2-oxo-2-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]ethyl]benzamide
SMILESCC(C)n1cc(/C=N\NC(=O)CNC(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C21H21FN4O2/c1-14(2)26-13-15(16-7-4-6-10-19(16)26)11-24-25-20(27)12-23-21(28)17-8-3-5-9-18(17)22/h3-11,13-14H,12H2,1-2H3,(H,23,28)(H,25,27)/b24-11-
InChIKeyPPONNWIRQWWCDD-MYKKPKGFSA-N
XLogP3.24
TPSA75.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[2-oxo-2-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]ethyl]benzamide with MolForge

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Related Compounds

N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 136758798
N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 43948519
N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 5063560
2,4-dichloro-N-[(2R)-3-methyl-1-oxo-1-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]butan-2-yl]benzamide
CID 126165383
3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3916491
2-(4-fluoroanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5416866
3,4,5-trimethoxy-N-[2-[(2E)-2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 171980592
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
2-fluoro-N-[(Z)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]benzamide
CID 50854012
(2R)-2-[[2-(2-chlorophenoxy)acetyl]amino]-N-[(Z)-(1-propan-2-ylindol-3-yl)methylideneamino]propanamide
CID 126163801
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide
CID 3251121
N-[2-[2-[(2-aminophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 67969256

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-oxo-2-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-oxo-2-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]ethyl]benzamide (CID 126163559) is 2-fluoro-N-[2-oxo-2-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-oxo-2-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-oxo-2-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]ethyl]benzamide is CC(C)n1cc(/C=N\NC(=O)CNC(=O)c2ccccc2F)c2ccccc21.
What is the InChIKey of 2-fluoro-N-[2-oxo-2-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]ethyl]benzamide?
The InChIKey is PPONNWIRQWWCDD-MYKKPKGFSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14(2)26-13-15(16-7-4-6-10-19(16)26)11-24-25-20(27)12-23-21(28)17-8-3-5-9-18(17)22/h3-11,13-14H,12H2,1-2H3,(H,23,28)(H,25,27)/b24-11-.
What are the key properties of 2-fluoro-N-[2-oxo-2-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]ethyl]benzamide?
2-fluoro-N-[2-oxo-2-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]ethyl]benzamide has a molecular weight of 380.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-oxo-2-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 126163559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).