N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide

C17H16ClN3O2 — CID 3859843

IUPACN-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NN=Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c1-12-6-8-13(9-7-12)17(23)19-11-16(22)21-20-10-14-4-2-3-5-15(14)18/h2-10H,11H2,1H3,(H,19,23)(H,21,22)
InChIKeyRBXYFJXWBGYNST-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.53
Rot. Bonds5

About N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide

N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide (PubChem CID 3859843) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
PubChem CID3859843
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NN=Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c1-12-6-8-13(9-7-12)17(23)19-11-16(22)21-20-10-14-4-2-3-5-15(14)18/h2-10H,11H2,1H3,(H,19,23)(H,21,22)
InChIKeyRBXYFJXWBGYNST-UHFFFAOYSA-N
XLogP2.53
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.53
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-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 3322894
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 3262359
4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3496807
4-methyl-N-[2-[2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3859238
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 4023781
N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 43948440
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 136612344
N-[2-[(2E)-2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 155533933
2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide
CID 4171005
N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 4188604
N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 136672598
4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 136911857

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide (CID 3859843) is N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)NN=Cc2ccccc2Cl)cc1.
What is the InChIKey of N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is RBXYFJXWBGYNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-12-6-8-13(9-7-12)17(23)19-11-16(22)21-20-10-14-4-2-3-5-15(14)18/h2-10H,11H2,1H3,(H,19,23)(H,21,22).
What are the key properties of N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide?
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 329.79 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 3859843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).