2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide

C19H18ClN3O2 — CID 6042340

IUPAC2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
SMILESCC(/C=C/c1ccccc1)=N/NC(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H18ClN3O2/c1-14(11-12-15-7-3-2-4-8-15)22-23-18(24)13-21-19(25)16-9-5-6-10-17(16)20/h2-12H,13H2,1H3,(H,21,25)(H,23,24)/b12-11+,22-14-
InChIKeyZQRIIMCICAVNCC-NBKBGXPHSA-N
MW355.83 g/mol
LogP3.28
Rot. Bonds6

About 2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide

2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide (PubChem CID 6042340) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
PubChem CID6042340
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
SMILESCC(/C=C/c1ccccc1)=N/NC(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H18ClN3O2/c1-14(11-12-15-7-3-2-4-8-15)22-23-18(24)13-21-19(25)16-9-5-6-10-17(16)20/h2-12H,13H2,1H3,(H,21,25)(H,23,24)/b12-11+,22-14-
InChIKeyZQRIIMCICAVNCC-NBKBGXPHSA-N
XLogP3.28
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.28
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

2-chloro-N-[2-oxo-2-[2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 15945772
2-chloro-N-[2-oxo-2-[2-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 129441454
3-methyl-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 6013341
N-[2-oxo-2-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]tetradecanamide
CID 51060660
N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]dodecanamide
CID 6156421
N,N'-bis[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]octanediamide
CID 6321551
2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide
CID 2227519
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
2-chloro-N-[2-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135648810
2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 92913426
2-chloro-N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3436111
2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide
CID 93028108

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide (CID 6042340) is 2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide is CC(/C=C/c1ccccc1)=N/NC(=O)CNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide?
The InChIKey is ZQRIIMCICAVNCC-NBKBGXPHSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-14(11-12-15-7-3-2-4-8-15)22-23-18(24)13-21-19(25)16-9-5-6-10-17(16)20/h2-12H,13H2,1H3,(H,21,25)(H,23,24)/b12-11+,22-14-.
What are the key properties of 2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide?
2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide has a molecular weight of 355.83 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 6042340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).