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

C24H21ClN4O4 — CID 5239737

IUPACN'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClN4O4/c1-2-33-19-13-11-18(12-14-19)27-22(30)20-5-3-4-6-21(20)28-23(31)24(32)29-26-15-16-7-9-17(25)10-8-16/h3-15H,2H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyGTZHJOPPPBMWFO-UHFFFAOYSA-N
MW464.91 g/mol
LogP4.08
Rot. Bonds7

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

N'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide (PubChem CID 5239737) has the molecular formula C24H21ClN4O4 and a molecular weight of 464.91 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide
PubChem CID5239737
Molecular FormulaC24H21ClN4O4
Molecular Weight464.91 g/mol
Exact Mass464.13
IUPAC NameN'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClN4O4/c1-2-33-19-13-11-18(12-14-19)27-22(30)20-5-3-4-6-21(20)28-23(31)24(32)29-26-15-16-7-9-17(25)10-8-16/h3-15H,2H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyGTZHJOPPPBMWFO-UHFFFAOYSA-N
XLogP4.08
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-butoxyphenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide
CID 3631981
2-[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6024920
[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 6036898
[4-[[[2-[2-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 4094463
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136808223
[4-[[[2-[2-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 5235607
N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6024308
2-[4-[(Z)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6010454
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 17195477
[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6117413
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4091193
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 5049729

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide?
The IUPAC name of N'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide (CID 5239737) is N'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide?
The canonical SMILES for N'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide is CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide?
The InChIKey is GTZHJOPPPBMWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4/c1-2-33-19-13-11-18(12-14-19)27-22(30)20-5-3-4-6-21(20)28-23(31)24(32)29-26-15-16-7-9-17(25)10-8-16/h3-15H,2H2,1H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide?
N'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide has a molecular weight of 464.91 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide is sourced from PubChem (CID 5239737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).