N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide

C19H20BrFN4O2 — CID 19659894

IUPACN-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C19H20BrFN4O2/c1-3-25(4-2)15-8-5-13(6-9-15)12-22-24-19(27)18(26)23-17-10-7-14(20)11-16(17)21/h5-12H,3-4H2,1-2H3,(H,23,26)(H,24,27)/b22-12+
InChIKeyDAFSXZNYOXOMTJ-WSDLNYQXSA-N
MW435.30 g/mol
LogP3.52
Rot. Bonds6

About N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide

N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide (PubChem CID 19659894) has the molecular formula C19H20BrFN4O2 and a molecular weight of 435.30 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide
PubChem CID19659894
Molecular FormulaC19H20BrFN4O2
Molecular Weight435.30 g/mol
Exact Mass434.08
IUPAC NameN-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C19H20BrFN4O2/c1-3-25(4-2)15-8-5-13(6-9-15)12-22-24-19(27)18(26)23-17-10-7-14(20)11-16(17)21/h5-12H,3-4H2,1-2H3,(H,23,26)(H,24,27)/b22-12+
InChIKeyDAFSXZNYOXOMTJ-WSDLNYQXSA-N
XLogP3.52
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.30
LogP ≤ 53.52
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-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19658350
N'-[(Z)-[4-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126156999
N'-[(Z)-[4-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126169567
N-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide
CID 19658700
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
N-(3-chloro-4-methylphenyl)-N'-[[4-(diethylamino)phenyl]methylideneamino]oxamide
CID 3477063
N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide
CID 108530640
2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 6107639
2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 5089742
N'-[(Z)-[4-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(4-butoxyphenyl)oxamide
CID 126173835
N-(4-bromo-2-fluorophenyl)-N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 3345928

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide (CID 19659894) is N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide is CCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide?
The InChIKey is DAFSXZNYOXOMTJ-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H20BrFN4O2/c1-3-25(4-2)15-8-5-13(6-9-15)12-22-24-19(27)18(26)23-17-10-7-14(20)11-16(17)21/h5-12H,3-4H2,1-2H3,(H,23,26)(H,24,27)/b22-12+.
What are the key properties of N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide?
N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide has a molecular weight of 435.30 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 19659894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).