N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide

C20H20Cl2N4O6 — CID 21214231

IUPACN-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1cc(C=NNC(=O)C(=O)N/N=C/c2cc(Cl)c(OC)c(OC)c2)cc(Cl)c1OC
InChIInChI=1S/C20H20Cl2N4O6/c1-29-15-7-11(5-13(21)17(15)31-3)9-23-25-19(27)20(28)26-24-10-12-6-14(22)18(32-4)16(8-12)30-2/h5-10H,1-4H3,(H,25,27)(H,26,28)/b23-9+,24-10?
InChIKeyJJTWHUMTMWTUPD-NMXSRHTDSA-N
MW483.31 g/mol
LogP2.63
Rot. Bonds8

About N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide

N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide (PubChem CID 21214231) has the molecular formula C20H20Cl2N4O6 and a molecular weight of 483.31 g/mol. Its IUPAC name is N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide
PubChem CID21214231
Molecular FormulaC20H20Cl2N4O6
Molecular Weight483.31 g/mol
Exact Mass482.08
IUPAC NameN-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1cc(C=NNC(=O)C(=O)N/N=C/c2cc(Cl)c(OC)c(OC)c2)cc(Cl)c1OC
InChIInChI=1S/C20H20Cl2N4O6/c1-29-15-7-11(5-13(21)17(15)31-3)9-23-25-19(27)20(28)26-24-10-12-6-14(22)18(32-4)16(8-12)30-2/h5-10H,1-4H3,(H,25,27)(H,26,28)/b23-9+,24-10?
InChIKeyJJTWHUMTMWTUPD-NMXSRHTDSA-N
XLogP2.63
TPSA119.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 8900582
2-chloro-N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 9016258
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 900213
N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide
CID 8989020
1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 92856854
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135646994
N'-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8901516
2-[2-chloro-6-methoxy-4-[(Z)-[[2-oxo-2-(propan-2-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989905
N'-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 8931757
4-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 84901065
N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8989016
2-[2-chloro-4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
CID 8989928

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide (CID 21214231) is N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide is COc1cc(C=NNC(=O)C(=O)N/N=C/c2cc(Cl)c(OC)c(OC)c2)cc(Cl)c1OC.
What is the InChIKey of N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide?
The InChIKey is JJTWHUMTMWTUPD-NMXSRHTDSA-N. The full InChI is InChI=1S/C20H20Cl2N4O6/c1-29-15-7-11(5-13(21)17(15)31-3)9-23-25-19(27)20(28)26-24-10-12-6-14(22)18(32-4)16(8-12)30-2/h5-10H,1-4H3,(H,25,27)(H,26,28)/b23-9+,24-10?.
What are the key properties of N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide?
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide has a molecular weight of 483.31 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 21214231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).