N'-[(Z)-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide

C22H18BrFN4O5 — CID 126262008

IUPACN'-[(Z)-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESO=C(COc1cccc(/C=N\NC(=O)C(=O)NCc2ccco2)c1)Nc1ccc(Br)cc1F
InChIInChI=1S/C22H18BrFN4O5/c23-15-6-7-19(18(24)10-15)27-20(29)13-33-16-4-1-3-14(9-16)11-26-28-22(31)21(30)25-12-17-5-2-8-32-17/h1-11H,12-13H2,(H,25,30)(H,27,29)(H,28,31)/b26-11-
InChIKeyJBCLJSYXJDZFPK-RAWMCFOBSA-N
MW517.31 g/mol
LogP2.97
Rot. Bonds8

About N'-[(Z)-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide

N'-[(Z)-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide (PubChem CID 126262008) has the molecular formula C22H18BrFN4O5 and a molecular weight of 517.31 g/mol. Its IUPAC name is N'-[(Z)-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
PubChem CID126262008
Molecular FormulaC22H18BrFN4O5
Molecular Weight517.31 g/mol
Exact Mass516.04
IUPAC NameN'-[(Z)-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESO=C(COc1cccc(/C=N\NC(=O)C(=O)NCc2ccco2)c1)Nc1ccc(Br)cc1F
InChIInChI=1S/C22H18BrFN4O5/c23-15-6-7-19(18(24)10-15)27-20(29)13-33-16-4-1-3-14(9-16)11-26-28-22(31)21(30)25-12-17-5-2-8-32-17/h1-11H,12-13H2,(H,25,30)(H,27,29)(H,28,31)/b26-11-
InChIKeyJBCLJSYXJDZFPK-RAWMCFOBSA-N
XLogP2.97
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.31
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

Analyze N'-[(Z)-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(Z)-[2-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126264576
N'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126254438
N'-[(Z)-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 126156587
N'-[(Z)-[3-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126157483
N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126260109
N-(furan-2-ylmethyl)-N'-[(Z)-[3-methoxy-4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126258731
N'-[(Z)-[3-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126181675
N'-[(Z)-[4-[2-(4-bromoanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126161367
N'-[(Z)-[4-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126156999
N'-[(Z)-[4-[2-(4-bromoanilino)-2-oxoethoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126159128
N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126270056
N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832433

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(Z)-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide (CID 126262008) is N'-[(Z)-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(Z)-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(Z)-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide is O=C(COc1cccc(/C=N\NC(=O)C(=O)NCc2ccco2)c1)Nc1ccc(Br)cc1F.
What is the InChIKey of N'-[(Z)-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is JBCLJSYXJDZFPK-RAWMCFOBSA-N. The full InChI is InChI=1S/C22H18BrFN4O5/c23-15-6-7-19(18(24)10-15)27-20(29)13-33-16-4-1-3-14(9-16)11-26-28-22(31)21(30)25-12-17-5-2-8-32-17/h1-11H,12-13H2,(H,25,30)(H,27,29)(H,28,31)/b26-11-.
What are the key properties of N'-[(Z)-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
N'-[(Z)-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 517.31 g/mol, XLogP of 2.97, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 126262008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).