N'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(2-fluorophenyl)oxamide

C24H20ClFN4O4 — CID 126262087

IUPACN'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
SMILESO=C(COc1ccc(Cl)cc1/C=N\NC(=O)C(=O)Nc1ccccc1F)NCc1ccccc1
InChIInChI=1S/C24H20ClFN4O4/c25-18-10-11-21(34-15-22(31)27-13-16-6-2-1-3-7-16)17(12-18)14-28-30-24(33)23(32)29-20-9-5-4-8-19(20)26/h1-12,14H,13,15H2,(H,27,31)(H,29,32)(H,30,33)/b28-14-
InChIKeyLWNWMAAHSBXHFP-MUXKCCDJSA-N
MW482.90 g/mol
LogP3.26
Rot. Bonds8

About N'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(2-fluorophenyl)oxamide

N'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(2-fluorophenyl)oxamide (PubChem CID 126262087) has the molecular formula C24H20ClFN4O4 and a molecular weight of 482.90 g/mol. Its IUPAC name is N'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(2-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
PubChem CID126262087
Molecular FormulaC24H20ClFN4O4
Molecular Weight482.90 g/mol
Exact Mass482.12
IUPAC NameN'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
SMILESO=C(COc1ccc(Cl)cc1/C=N\NC(=O)C(=O)Nc1ccccc1F)NCc1ccccc1
InChIInChI=1S/C24H20ClFN4O4/c25-18-10-11-21(34-15-22(31)27-13-16-6-2-1-3-7-16)17(12-18)14-28-30-24(33)23(32)29-20-9-5-4-8-19(20)26/h1-12,14H,13,15H2,(H,27,31)(H,29,32)(H,30,33)/b28-14-
InChIKeyLWNWMAAHSBXHFP-MUXKCCDJSA-N
XLogP3.26
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.90
LogP ≤ 53.26
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)-[5-chloro-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126175285
N'-[(Z)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-N-(2-fluorophenyl)oxamide
CID 8989282
2-[2-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]-4-chlorophenoxy]acetic acid
CID 8989647
N'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126260731
2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 124555225
N'-[(Z)-[5-chloro-2-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126176101
2-[4-chloro-2-[(Z)-[[2-(2,3-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989649
N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126266532
N'-[(Z)-[5-chloro-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126164070
N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 8990204
N-(2-fluorophenyl)-N'-[(Z)-[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126276514
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126177562

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(2-fluorophenyl)oxamide?
The IUPAC name of N'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(2-fluorophenyl)oxamide (CID 126262087) is N'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(2-fluorophenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(2-fluorophenyl)oxamide?
The canonical SMILES for N'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(2-fluorophenyl)oxamide is O=C(COc1ccc(Cl)cc1/C=N\NC(=O)C(=O)Nc1ccccc1F)NCc1ccccc1.
What is the InChIKey of N'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(2-fluorophenyl)oxamide?
The InChIKey is LWNWMAAHSBXHFP-MUXKCCDJSA-N. The full InChI is InChI=1S/C24H20ClFN4O4/c25-18-10-11-21(34-15-22(31)27-13-16-6-2-1-3-7-16)17(12-18)14-28-30-24(33)23(32)29-20-9-5-4-8-19(20)26/h1-12,14H,13,15H2,(H,27,31)(H,29,32)(H,30,33)/b28-14-.
What are the key properties of N'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(2-fluorophenyl)oxamide?
N'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(2-fluorophenyl)oxamide has a molecular weight of 482.90 g/mol, XLogP of 3.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(2-fluorophenyl)oxamide is sourced from PubChem (CID 126262087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).