3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

C19H17ClN4O2 — CID 3916491

IUPAC3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCn1cc(C=NNC(=O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C19H17ClN4O2/c1-24-12-14(16-7-2-3-8-17(16)24)10-22-23-18(25)11-21-19(26)13-5-4-6-15(20)9-13/h2-10,12H,11H2,1H3,(H,21,26)(H,23,25)
InChIKeyJHBYIBLOXJLFLH-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.71
Rot. Bonds5

About 3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 3916491) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID3916491
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCn1cc(C=NNC(=O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C19H17ClN4O2/c1-24-12-14(16-7-2-3-8-17(16)24)10-22-23-18(25)11-21-19(26)13-5-4-6-15(20)9-13/h2-10,12H,11H2,1H3,(H,21,26)(H,23,25)
InChIKeyJHBYIBLOXJLFLH-UHFFFAOYSA-N
XLogP2.71
TPSA75.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.71
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

3,4,5-trimethoxy-N-[2-[(2E)-2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 171980592
1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 110537286
3-chloro-N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3258784
N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 6105640
2-chloro-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 23476934
2-(4-iodoanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 126182020
2-(4-fluoroanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5416866
3-bromo-N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4316805
2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 110515655
3-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 3548423
[2-[[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3766631
[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 5407269

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 3916491) is 3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is Cn1cc(C=NNC(=O)CNC(=O)c2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is JHBYIBLOXJLFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-24-12-14(16-7-2-3-8-17(16)24)10-22-23-18(25)11-21-19(26)13-5-4-6-15(20)9-13/h2-10,12H,11H2,1H3,(H,21,26)(H,23,25).
What are the key properties of 3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 368.82 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 3916491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).