N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide

C22H16Cl2N4O3 — CID 6161305

IUPACN-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccccc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl2N4O3/c23-15-9-11-16(12-10-15)26-20(29)17-6-2-4-8-19(17)27-21(30)22(31)28-25-13-14-5-1-3-7-18(14)24/h1-13H,(H,26,29)(H,27,30)(H,28,31)/b25-13-
InChIKeyFNDGUNVLIJHBOM-MXAYSNPKSA-N
MW455.30 g/mol
LogP4.33
Rot. Bonds5

About N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide

N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide (PubChem CID 6161305) has the molecular formula C22H16Cl2N4O3 and a molecular weight of 455.30 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide
PubChem CID6161305
Molecular FormulaC22H16Cl2N4O3
Molecular Weight455.30 g/mol
Exact Mass454.06
IUPAC NameN-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccccc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl2N4O3/c23-15-9-11-16(12-10-15)26-20(29)17-6-2-4-8-19(17)27-21(30)22(31)28-25-13-14-5-1-3-7-18(14)24/h1-13H,(H,26,29)(H,27,30)(H,28,31)/b25-13-
InChIKeyFNDGUNVLIJHBOM-MXAYSNPKSA-N
XLogP4.33
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.30
LogP ≤ 54.33
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'}

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Related Compounds

N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
CID 4549616
N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 4601771
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4091193
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]oxamide
CID 6260851
N'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide
CID 5239737
2-[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6024920
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 5049729
N-[2-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 45054984
N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 6028561
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 6163139
N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide
CID 19660036
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 3644481

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide (CID 6161305) is N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide is O=C(N/N=C\c1ccccc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide?
The InChIKey is FNDGUNVLIJHBOM-MXAYSNPKSA-N. The full InChI is InChI=1S/C22H16Cl2N4O3/c23-15-9-11-16(12-10-15)26-20(29)17-6-2-4-8-19(17)27-21(30)22(31)28-25-13-14-5-1-3-7-18(14)24/h1-13H,(H,26,29)(H,27,30)(H,28,31)/b25-13-.
What are the key properties of N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide?
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide has a molecular weight of 455.30 g/mol, XLogP of 4.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 6161305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).