N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-propyloxamide

C22H24Cl2N4O5 — CID 126164442

IUPACN'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-propyloxamide
SMILESCCCNC(=O)C(=O)N/N=C\c1cc(Cl)c(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1
InChIInChI=1S/C22H24Cl2N4O5/c1-4-7-25-21(30)22(31)28-26-11-14-8-16(24)20(18(9-14)32-3)33-12-19(29)27-17-10-15(23)6-5-13(17)2/h5-6,8-11H,4,7,12H2,1-3H3,(H,25,30)(H,27,29)(H,28,31)/b26-11-
InChIKeyWTCJCSZFZMSBNF-RAWMCFOBSA-N
MW495.36 g/mol
LogP3.30
Rot. Bonds9

About N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-propyloxamide

N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-propyloxamide (PubChem CID 126164442) has the molecular formula C22H24Cl2N4O5 and a molecular weight of 495.36 g/mol. Its IUPAC name is N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-propyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-propyloxamide
PubChem CID126164442
Molecular FormulaC22H24Cl2N4O5
Molecular Weight495.36 g/mol
Exact Mass494.11
IUPAC NameN'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-propyloxamide
SMILESCCCNC(=O)C(=O)N/N=C\c1cc(Cl)c(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1
InChIInChI=1S/C22H24Cl2N4O5/c1-4-7-25-21(30)22(31)28-26-11-14-8-16(24)20(18(9-14)32-3)33-12-19(29)27-17-10-15(23)6-5-13(17)2/h5-6,8-11H,4,7,12H2,1-3H3,(H,25,30)(H,27,29)(H,28,31)/b26-11-
InChIKeyWTCJCSZFZMSBNF-RAWMCFOBSA-N
XLogP3.30
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.36
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-methyloxamide
CID 126169569
N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126260978
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide
CID 126157880
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylideneamino]-N-propyloxamide
CID 126173094
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126166385
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-ethyloxamide
CID 126170325
N'-[(Z)-[3-chloro-5-ethoxy-4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide
CID 126177478
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-(2-methoxyethyl)oxamide
CID 126164747
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-ethyloxamide
CID 126175981
N-butyl-N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126159531
N'-[(Z)-[3-chloro-4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 126268764
N-[(2S)-butan-2-yl]-N'-[(Z)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]oxamide
CID 126262313

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-propyloxamide?
The IUPAC name of N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-propyloxamide (CID 126164442) is N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-propyloxamide.
What is the SMILES notation for N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-propyloxamide?
The canonical SMILES for N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-propyloxamide is CCCNC(=O)C(=O)N/N=C\c1cc(Cl)c(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1.
What is the InChIKey of N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-propyloxamide?
The InChIKey is WTCJCSZFZMSBNF-RAWMCFOBSA-N. The full InChI is InChI=1S/C22H24Cl2N4O5/c1-4-7-25-21(30)22(31)28-26-11-14-8-16(24)20(18(9-14)32-3)33-12-19(29)27-17-10-15(23)6-5-13(17)2/h5-6,8-11H,4,7,12H2,1-3H3,(H,25,30)(H,27,29)(H,28,31)/b26-11-.
What are the key properties of N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-propyloxamide?
N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-propyloxamide has a molecular weight of 495.36 g/mol, XLogP of 3.30, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-propyloxamide is sourced from PubChem (CID 126164442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).