N'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide

C24H20Cl2N4O4 — CID 126170389

IUPACN'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1
InChIInChI=1S/C24H20Cl2N4O4/c1-15-6-9-17(10-7-15)28-23(32)24(33)30-27-13-16-8-11-21(19(26)12-16)34-14-22(31)29-20-5-3-2-4-18(20)25/h2-13H,14H2,1H3,(H,28,32)(H,29,31)(H,30,33)/b27-13-
InChIKeyCKZGBNZHLGEOII-WKIKZPBSSA-N
MW499.35 g/mol
LogP4.41
Rot. Bonds7

About N'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide

N'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide (PubChem CID 126170389) has the molecular formula C24H20Cl2N4O4 and a molecular weight of 499.35 g/mol. Its IUPAC name is N'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
PubChem CID126170389
Molecular FormulaC24H20Cl2N4O4
Molecular Weight499.35 g/mol
Exact Mass498.09
IUPAC NameN'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1
InChIInChI=1S/C24H20Cl2N4O4/c1-15-6-9-17(10-7-15)28-23(32)24(33)30-27-13-16-8-11-21(19(26)12-16)34-14-22(31)29-20-5-3-2-4-18(20)25/h2-13H,14H2,1H3,(H,28,32)(H,29,31)(H,30,33)/b27-13-
InChIKeyCKZGBNZHLGEOII-WKIKZPBSSA-N
XLogP4.41
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.35
LogP ≤ 54.41
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'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126260676
N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126161438
2-[2-chloro-4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989828
N-[(2S)-butan-2-yl]-N'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126262277
N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 126163043
N'-[(Z)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126158149
N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126170289
N'-[(Z)-[4-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126177044
N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126276295
2-[2-chloro-4-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 4045866
2-[4-[(E)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 126020298
N'-[(Z)-[3-chloro-4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126266403

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide (CID 126170389) is N'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1.
What is the InChIKey of N'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide?
The InChIKey is CKZGBNZHLGEOII-WKIKZPBSSA-N. The full InChI is InChI=1S/C24H20Cl2N4O4/c1-15-6-9-17(10-7-15)28-23(32)24(33)30-27-13-16-8-11-21(19(26)12-16)34-14-22(31)29-20-5-3-2-4-18(20)25/h2-13H,14H2,1H3,(H,28,32)(H,29,31)(H,30,33)/b27-13-.
What are the key properties of N'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide?
N'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide has a molecular weight of 499.35 g/mol, XLogP of 4.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 126170389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).