2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide

C19H16ClN5O2 — CID 3376746

IUPAC2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)NN=Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C19H16ClN5O2/c20-16-9-5-4-8-15(16)19(27)21-12-17(26)24-22-10-14-11-23-25-18(14)13-6-2-1-3-7-13/h1-11H,12H2,(H,21,27)(H,23,25)(H,24,26)
InChIKeyIMAPWDJOQQFWKK-UHFFFAOYSA-N
MW381.82 g/mol
LogP2.61
Rot. Bonds6

About 2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide

2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide (PubChem CID 3376746) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is 2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
PubChem CID3376746
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC Name2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)NN=Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C19H16ClN5O2/c20-16-9-5-4-8-15(16)19(27)21-12-17(26)24-22-10-14-11-23-25-18(14)13-6-2-1-3-7-13/h1-11H,12H2,(H,21,27)(H,23,25)(H,24,26)
InChIKeyIMAPWDJOQQFWKK-UHFFFAOYSA-N
XLogP2.61
TPSA99.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 52.61
H-Bond Donors ≤ 53
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

N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 135425046
4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 135517068
2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 3895912
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
CID 136900537
N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 43948440
2-(3-methylanilino)-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 135699390
2-chloro-N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3436111
N-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide
CID 136728460
N-[2-oxo-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propyl]benzamide
CID 159791235
2-methyl-3-phenyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide
CID 135588723
(2R)-2-methyl-3-phenyl-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide
CID 136749452
2-(5-aminotetrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 947960

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide (CID 3376746) is 2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide is O=C(CNC(=O)c1ccccc1Cl)NN=Cc1cn[nH]c1-c1ccccc1.
What is the InChIKey of 2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide?
The InChIKey is IMAPWDJOQQFWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c20-16-9-5-4-8-15(16)19(27)21-12-17(26)24-22-10-14-11-23-25-18(14)13-6-2-1-3-7-13/h1-11H,12H2,(H,21,27)(H,23,25)(H,24,26).
What are the key properties of 2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide?
2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide has a molecular weight of 381.82 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 3376746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).