N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide

C17H16ClN3O2 — CID 43948440

IUPACN-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)N/N=C/c1ccccc1Cl
InChIInChI=1S/C17H16ClN3O2/c18-15-9-5-4-8-14(15)11-20-21-17(23)12-19-16(22)10-13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,19,22)(H,21,23)/b20-11+
InChIKeyDBTIYIMYWZJHTO-RGVLZGJSSA-N
MW329.79 g/mol
LogP2.15
Rot. Bonds6

About N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide

N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide (PubChem CID 43948440) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
PubChem CID43948440
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)N/N=C/c1ccccc1Cl
InChIInChI=1S/C17H16ClN3O2/c18-15-9-5-4-8-14(15)11-20-21-17(23)12-19-16(22)10-13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,19,22)(H,21,23)/b20-11+
InChIKeyDBTIYIMYWZJHTO-RGVLZGJSSA-N
XLogP2.15
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.15
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

N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 3859843
N-[2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 6056379
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 3262359
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428594
2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide
CID 4171005
4-[(E)-[[2-[(2-phenylacetyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 5333573
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 4023781
2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 3376746
N-[(E)-(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 6883998
N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 709280
N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylacetamide
CID 5332602
4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3496807

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide (CID 43948440) is N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC(=O)N/N=C/c1ccccc1Cl.
What is the InChIKey of N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is DBTIYIMYWZJHTO-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-15-9-5-4-8-14(15)11-20-21-17(23)12-19-16(22)10-13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,19,22)(H,21,23)/b20-11+.
What are the key properties of N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide?
N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 329.79 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 43948440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).