N-(4-bromophenyl)-N'-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide

C22H17BrFN3O3 — CID 19658870

IUPACN-(4-bromophenyl)-N'-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESO=C(N/N=C/c1cccc(OCc2ccccc2F)c1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C22H17BrFN3O3/c23-17-8-10-18(11-9-17)26-21(28)22(29)27-25-13-15-4-3-6-19(12-15)30-14-16-5-1-2-7-20(16)24/h1-13H,14H2,(H,26,28)(H,27,29)/b25-13+
InChIKeyWLRMVDSQTFIOCK-DHRITJCHSA-N
MW470.30 g/mol
LogP4.26
Rot. Bonds6

About N-(4-bromophenyl)-N'-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide

N-(4-bromophenyl)-N'-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide (PubChem CID 19658870) has the molecular formula C22H17BrFN3O3 and a molecular weight of 470.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
PubChem CID19658870
Molecular FormulaC22H17BrFN3O3
Molecular Weight470.30 g/mol
Exact Mass469.04
IUPAC NameN-(4-bromophenyl)-N'-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESO=C(N/N=C/c1cccc(OCc2ccccc2F)c1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C22H17BrFN3O3/c23-17-8-10-18(11-9-17)26-21(28)22(29)27-25-13-15-4-3-6-19(12-15)30-14-16-5-1-2-7-20(16)24/h1-13H,14H2,(H,26,28)(H,27,29)/b25-13+
InChIKeyWLRMVDSQTFIOCK-DHRITJCHSA-N
XLogP4.26
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.30
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5166548
N-(4-bromophenyl)-N'-[(3-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4600648
N-(3,5-dimethylphenyl)-N'-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19661382
4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126195239
N'-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 4072361
N-(4-methylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3704074
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6153387
N-(4-ethylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3300834
N'-[(Z)-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126164295
N'-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 5098627
4-bromo-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 126375379
N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 45055326

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-(4-bromophenyl)-N'-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide (CID 19658870) is N-(4-bromophenyl)-N'-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(4-bromophenyl)-N'-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide is O=C(N/N=C/c1cccc(OCc2ccccc2F)c1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N'-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The InChIKey is WLRMVDSQTFIOCK-DHRITJCHSA-N. The full InChI is InChI=1S/C22H17BrFN3O3/c23-17-8-10-18(11-9-17)26-21(28)22(29)27-25-13-15-4-3-6-19(12-15)30-14-16-5-1-2-7-20(16)24/h1-13H,14H2,(H,26,28)(H,27,29)/b25-13+.
What are the key properties of N-(4-bromophenyl)-N'-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
N-(4-bromophenyl)-N'-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide has a molecular weight of 470.30 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 19658870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).