3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide

C19H17Cl2N3O2 — CID 3604204

IUPAC3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide
SMILESCC(C=NNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)=Cc1ccccc1
InChIInChI=1S/C19H17Cl2N3O2/c1-13(9-14-5-3-2-4-6-14)11-23-24-18(25)12-22-19(26)15-7-8-16(20)17(21)10-15/h2-11H,12H2,1H3,(H,22,26)(H,24,25)
InChIKeyITCLURMQILOMOF-UHFFFAOYSA-N
MW390.27 g/mol
LogP3.93
Rot. Bonds6

About 3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide

3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 3604204) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide
PubChem CID3604204
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide
SMILESCC(C=NNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)=Cc1ccccc1
InChIInChI=1S/C19H17Cl2N3O2/c1-13(9-14-5-3-2-4-6-14)11-23-24-18(25)12-22-19(26)15-7-8-16(20)17(21)10-15/h2-11H,12H2,1H3,(H,22,26)(H,24,25)
InChIKeyITCLURMQILOMOF-UHFFFAOYSA-N
XLogP3.93
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-methyl-N-[2-[(2E)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 45054169
3,4-dimethoxy-N-[2-[2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 15945783
2-bromo-N-[2-[2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 129441190
2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129431732
N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 45054187
N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
CID 6369714
[3-benzoyloxy-4-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 3864023
[3-[(E)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 51061451
2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3623202
3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4175979
2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3752825
2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 51061440

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide (CID 3604204) is 3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide is CC(C=NNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)=Cc1ccccc1.
What is the InChIKey of 3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is ITCLURMQILOMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-13(9-14-5-3-2-4-6-14)11-23-24-18(25)12-22-19(26)15-7-8-16(20)17(21)10-15/h2-11H,12H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide?
3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 390.27 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 3604204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).