2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide

C17H12Cl2N4O — CID 8980280

IUPAC2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cnn(-c2ccccc2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H12Cl2N4O/c18-13-6-7-16(19)15(8-13)17(24)22-20-9-12-10-21-23(11-12)14-4-2-1-3-5-14/h1-11H,(H,22,24)/b20-9-
InChIKeyWEBSDZPNIDCFPY-UKWGHVSLSA-N
MW359.22 g/mol
LogP3.94
Rot. Bonds4

About 2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide

2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide (PubChem CID 8980280) has the molecular formula C17H12Cl2N4O and a molecular weight of 359.22 g/mol. Its IUPAC name is 2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
PubChem CID8980280
Molecular FormulaC17H12Cl2N4O
Molecular Weight359.22 g/mol
Exact Mass358.04
IUPAC Name2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cnn(-c2ccccc2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H12Cl2N4O/c18-13-6-7-16(19)15(8-13)17(24)22-20-9-12-10-21-23(11-12)14-4-2-1-3-5-14/h1-11H,(H,22,24)/b20-9-
InChIKeyWEBSDZPNIDCFPY-UKWGHVSLSA-N
XLogP3.94
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.94
H-Bond Donors ≤ 51
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

1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide
CID 8984307
2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide
CID 2127687
4-chloro-3-[(2Z)-2-[(1-phenylpyrazol-4-yl)methylidene]hydrazinyl]benzoate
CID 8974334
4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 8980773
N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 8974541
3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide
CID 8981777
N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide
CID 5101111
N-[(2,4-dichlorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175215299
N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide
CID 8982260
3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide
CID 8984176
(5S)-5-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 8981405
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 7929317

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide?
The IUPAC name of 2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide (CID 8980280) is 2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide?
The canonical SMILES for 2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide is O=C(N/N=C\c1cnn(-c2ccccc2)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide?
The InChIKey is WEBSDZPNIDCFPY-UKWGHVSLSA-N. The full InChI is InChI=1S/C17H12Cl2N4O/c18-13-6-7-16(19)15(8-13)17(24)22-20-9-12-10-21-23(11-12)14-4-2-1-3-5-14/h1-11H,(H,22,24)/b20-9-.
What are the key properties of 2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide?
2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide has a molecular weight of 359.22 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide is sourced from PubChem (CID 8980280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).