3,4-dichloro-N-[1-[2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide

C23H24Cl2N4O2 — CID 3429939

IUPAC3,4-dichloro-N-[1-[2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCn1cc(C=NNC(=O)C(NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)c2ccccc21
InChIInChI=1S/C23H24Cl2N4O2/c1-4-29-13-16(17-7-5-6-8-20(17)29)12-26-28-23(31)21(14(2)3)27-22(30)15-9-10-18(24)19(25)11-15/h5-14,21H,4H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyFJVRAPWLATUYDG-UHFFFAOYSA-N
MW459.38 g/mol
LogP4.87
Rot. Bonds7

About 3,4-dichloro-N-[1-[2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide

3,4-dichloro-N-[1-[2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 3429939) has the molecular formula C23H24Cl2N4O2 and a molecular weight of 459.38 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-[2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-[2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID3429939
Molecular FormulaC23H24Cl2N4O2
Molecular Weight459.38 g/mol
Exact Mass458.13
IUPAC Name3,4-dichloro-N-[1-[2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCn1cc(C=NNC(=O)C(NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)c2ccccc21
InChIInChI=1S/C23H24Cl2N4O2/c1-4-29-13-16(17-7-5-6-8-20(17)29)12-26-28-23(31)21(14(2)3)27-22(30)15-9-10-18(24)19(25)11-15/h5-14,21H,4H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyFJVRAPWLATUYDG-UHFFFAOYSA-N
XLogP4.87
TPSA75.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 54.87
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'}

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Related Compounds

3,4-dichloro-N-[3-methyl-1-[2-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 4266198
3,4-dichloro-N-[3-methyl-1-[(2Z)-2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 6090625
3,4-dichloro-N-[3-methyl-1-[(2Z)-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 6069816
N-[(2S)-1-[(2E)-2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 98218364
N-[(2S)-1-[(2Z)-2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 6364275
3,4-dichloro-N-[1-[(2Z)-2-[(4-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 6293169
4-chloro-N-[1-[2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4561907
4-methyl-N-[3-methyl-1-[2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 3965951
N-[1-[2-[(2-butoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3,4-dichlorobenzamide
CID 3983131
2,4-dichloro-N-[1-[(2Z)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 6080267
3,4-dichloro-N-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3588824
3,4-dichloro-N-[3-methyl-1-oxo-1-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]butan-2-yl]benzamide
CID 3993564

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-[2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[1-[2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide (CID 3429939) is 3,4-dichloro-N-[1-[2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-[2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[1-[2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide is CCn1cc(C=NNC(=O)C(NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)c2ccccc21.
What is the InChIKey of 3,4-dichloro-N-[1-[2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is FJVRAPWLATUYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O2/c1-4-29-13-16(17-7-5-6-8-20(17)29)12-26-28-23(31)21(14(2)3)27-22(30)15-9-10-18(24)19(25)11-15/h5-14,21H,4H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of 3,4-dichloro-N-[1-[2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide?
3,4-dichloro-N-[1-[2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 459.38 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-[2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 3429939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).