N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide

C23H18Cl2N4O3 — CID 6028561

IUPACN'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C\c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C23H18Cl2N4O3/c1-14-6-4-7-15(12-14)27-21(30)16-8-2-3-11-20(16)28-22(31)23(32)29-26-13-17-18(24)9-5-10-19(17)25/h2-13H,1H3,(H,27,30)(H,28,31)(H,29,32)/b26-13-
InChIKeyLBAKWSPNHZNMDS-ZMFRSBBQSA-N
MW469.33 g/mol
LogP4.64
Rot. Bonds5

About N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide

N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide (PubChem CID 6028561) has the molecular formula C23H18Cl2N4O3 and a molecular weight of 469.33 g/mol. Its IUPAC name is N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide.

Molecular Properties

Compound NameN'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
PubChem CID6028561
Molecular FormulaC23H18Cl2N4O3
Molecular Weight469.33 g/mol
Exact Mass468.08
IUPAC NameN'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C\c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C23H18Cl2N4O3/c1-14-6-4-7-15(12-14)27-21(30)16-8-2-3-11-20(16)28-22(31)23(32)29-26-13-17-18(24)9-5-10-19(17)25/h2-13H,1H3,(H,27,30)(H,28,31)(H,29,32)/b26-13-
InChIKeyLBAKWSPNHZNMDS-ZMFRSBBQSA-N
XLogP4.64
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.33
LogP ≤ 54.64
H-Bond Donors ≤ 53
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'}

Analyze N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]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'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 5060623
N-[2-[(3-methylphenyl)carbamoyl]phenyl]-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
CID 6022812
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 4171439
2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 4201940
[4-[(Z)-[[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 6141807
N-(2-bromophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide
CID 94847083
N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide
CID 51060164
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide
CID 6161305
[2-methoxy-4-[(Z)-[[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6310638
[4-bromo-2-[(Z)-[[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6173927
N'-(benzylideneamino)-N-(3-methylphenyl)oxamide
CID 4143039

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide?
The IUPAC name of N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide (CID 6028561) is N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide.
What is the SMILES notation for N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide?
The canonical SMILES for N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C\c2c(Cl)cccc2Cl)c1.
What is the InChIKey of N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide?
The InChIKey is LBAKWSPNHZNMDS-ZMFRSBBQSA-N. The full InChI is InChI=1S/C23H18Cl2N4O3/c1-14-6-4-7-15(12-14)27-21(30)16-8-2-3-11-20(16)28-22(31)23(32)29-26-13-17-18(24)9-5-10-19(17)25/h2-13H,1H3,(H,27,30)(H,28,31)(H,29,32)/b26-13-.
What are the key properties of N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide?
N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide has a molecular weight of 469.33 g/mol, XLogP of 4.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide is sourced from PubChem (CID 6028561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).