2-fluoro-4-methanehydrazonoyl-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide;hydrochloride

C22H20ClFN4O3 — CID 86589997

IUPAC2-fluoro-4-methanehydrazonoyl-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide;hydrochloride
SMILESCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C=NN)cc2F)cc1.Cl
InChIInChI=1S/C22H19FN4O3.ClH/c1-30-16-9-7-15(8-10-16)21(28)26-19-4-2-3-5-20(19)27-22(29)17-11-6-14(13-25-24)12-18(17)23;/h2-13H,24H2,1H3,(H,26,28)(H,27,29);1H
InChIKeyPDMVMEFARDNIDZ-UHFFFAOYSA-N
MW442.88 g/mol
LogP4.05
Rot. Bonds6

About 2-fluoro-4-methanehydrazonoyl-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide;hydrochloride

2-fluoro-4-methanehydrazonoyl-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide;hydrochloride (PubChem CID 86589997) has the molecular formula C22H20ClFN4O3 and a molecular weight of 442.88 g/mol. Its IUPAC name is 2-fluoro-4-methanehydrazonoyl-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4-methanehydrazonoyl-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide;hydrochloride
PubChem CID86589997
Molecular FormulaC22H20ClFN4O3
Molecular Weight442.88 g/mol
Exact Mass442.12
IUPAC Name2-fluoro-4-methanehydrazonoyl-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide;hydrochloride
SMILESCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C=NN)cc2F)cc1.Cl
InChIInChI=1S/C22H19FN4O3.ClH/c1-30-16-9-7-15(8-10-16)21(28)26-19-4-2-3-5-20(19)27-22(29)17-11-6-14(13-25-24)12-18(17)23;/h2-13H,24H2,1H3,(H,26,28)(H,27,29);1H
InChIKeyPDMVMEFARDNIDZ-UHFFFAOYSA-N
XLogP4.05
TPSA105.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.88
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 23107609
2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
CID 4614561
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
N-(3,5-dimethoxyphenyl)-6-methanehydrazonoylnaphthalene-2-carboxamide
CID 70059760
2-fluoro-N-[4-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1287432
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
2-fluoro-4-methoxy-N-(2-propan-2-ylphenyl)benzamide
CID 103602982
N-(3-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 113340885
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methanehydrazonoyl-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide;hydrochloride?
The IUPAC name of 2-fluoro-4-methanehydrazonoyl-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide;hydrochloride (CID 86589997) is 2-fluoro-4-methanehydrazonoyl-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-4-methanehydrazonoyl-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-4-methanehydrazonoyl-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide;hydrochloride is COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C=NN)cc2F)cc1.Cl.
What is the InChIKey of 2-fluoro-4-methanehydrazonoyl-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide;hydrochloride?
The InChIKey is PDMVMEFARDNIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3.ClH/c1-30-16-9-7-15(8-10-16)21(28)26-19-4-2-3-5-20(19)27-22(29)17-11-6-14(13-25-24)12-18(17)23;/h2-13H,24H2,1H3,(H,26,28)(H,27,29);1H.
What are the key properties of 2-fluoro-4-methanehydrazonoyl-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide;hydrochloride?
2-fluoro-4-methanehydrazonoyl-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide;hydrochloride has a molecular weight of 442.88 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methanehydrazonoyl-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 86589997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).