5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide

C20H15BrClN3O3 — CID 6027501

IUPAC5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccc(Br)o1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H15BrClN3O3/c1-12(24-25-20(27)17-10-11-18(21)28-17)13-4-8-16(9-5-13)23-19(26)14-2-6-15(22)7-3-14/h2-11H,1H3,(H,23,26)(H,25,27)/b24-12-
InChIKeyFJAULRVJJGMKGO-MSXFZWOLSA-N
MW460.72 g/mol
LogP5.10
Rot. Bonds5

About 5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide

5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide (PubChem CID 6027501) has the molecular formula C20H15BrClN3O3 and a molecular weight of 460.72 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
PubChem CID6027501
Molecular FormulaC20H15BrClN3O3
Molecular Weight460.72 g/mol
Exact Mass459.00
IUPAC Name5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccc(Br)o1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H15BrClN3O3/c1-12(24-25-20(27)17-10-11-18(21)28-17)13-4-8-16(9-5-13)23-19(26)14-2-6-15(22)7-3-14/h2-11H,1H3,(H,23,26)(H,25,27)/b24-12-
InChIKeyFJAULRVJJGMKGO-MSXFZWOLSA-N
XLogP5.10
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.72
LogP ≤ 55.10
H-Bond Donors ≤ 52
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'}

Analyze 5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide 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)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6007896
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide
CID 4051552
5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide
CID 27526972
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide
CID 4099820
5-bromo-N-[(E)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide
CID 5334242
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide
CID 3465432
4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4633062
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
5-bromo-N-[4-[(Z)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 6106697
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 3473890
4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 5432243
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide
CID 5158930

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide (CID 6027501) is 5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide is C/C(=N/NC(=O)c1ccc(Br)o1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide?
The InChIKey is FJAULRVJJGMKGO-MSXFZWOLSA-N. The full InChI is InChI=1S/C20H15BrClN3O3/c1-12(24-25-20(27)17-10-11-18(21)28-17)13-4-8-16(9-5-13)23-19(26)14-2-6-15(22)7-3-14/h2-11H,1H3,(H,23,26)(H,25,27)/b24-12-.
What are the key properties of 5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide?
5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide has a molecular weight of 460.72 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6027501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).