N-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide

C23H20ClN3O4 — CID 3999806

IUPACN-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
SMILESCOc1ccc(NC(=O)COc2ccc(Cl)cc2C=NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20ClN3O4/c1-30-20-10-8-19(9-11-20)26-22(28)15-31-21-12-7-18(24)13-17(21)14-25-27-23(29)16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyFWGVWNNFYFUNBG-UHFFFAOYSA-N
MW437.88 g/mol
LogP4.13
Rot. Bonds8

About N-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide

N-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide (PubChem CID 3999806) has the molecular formula C23H20ClN3O4 and a molecular weight of 437.88 g/mol. Its IUPAC name is N-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
PubChem CID3999806
Molecular FormulaC23H20ClN3O4
Molecular Weight437.88 g/mol
Exact Mass437.11
IUPAC NameN-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
SMILESCOc1ccc(NC(=O)COc2ccc(Cl)cc2C=NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20ClN3O4/c1-30-20-10-8-19(9-11-20)26-22(28)15-31-21-12-7-18(24)13-17(21)14-25-27-23(29)16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyFWGVWNNFYFUNBG-UHFFFAOYSA-N
XLogP4.13
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[2-(2-anilino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-4-methylbenzamide
CID 126274347
4-chloro-N-[(E)-[5-chloro-2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 124552187
N-[(E)-[5-chloro-2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126332303
N-[(E)-[5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126259967
N-[(E)-[2-(2-anilino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-4-nitrobenzamide
CID 126257004
N-[(Z)-[4-(2-anilino-2-oxoethoxy)-2-bromo-5-methoxyphenyl]methylideneamino]-4-chlorobenzamide
CID 126196560
N-[(E)-[5-chloro-2-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126261404
4-bromo-N-[(E)-[5-bromo-2-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126263330
N-[(E)-[5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126331011
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126265492
N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3656998
4-(2-anilino-1,3-thiazol-4-yl)-N-[(E)-[5-chloro-2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126384763

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of N-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide (CID 3999806) is N-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for N-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide is COc1ccc(NC(=O)COc2ccc(Cl)cc2C=NNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
The InChIKey is FWGVWNNFYFUNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4/c1-30-20-10-8-19(9-11-20)26-22(28)15-31-21-12-7-18(24)13-17(21)14-25-27-23(29)16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
N-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide has a molecular weight of 437.88 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 3999806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).