N'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide

C19H19BrN4O4 — CID 126181829

IUPACN'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide
SMILESCCNC(=O)C(=O)N/N=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C19H19BrN4O4/c1-2-21-18(26)19(27)24-22-11-13-10-14(20)8-9-16(13)28-12-17(25)23-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,21,26)(H,23,25)(H,24,27)/b22-11-
InChIKeySMSKSLRFFXZTEG-JJFYIABZSA-N
MW447.29 g/mol
LogP2.05
Rot. Bonds7

About N'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide

N'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide (PubChem CID 126181829) has the molecular formula C19H19BrN4O4 and a molecular weight of 447.29 g/mol. Its IUPAC name is N'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide
PubChem CID126181829
Molecular FormulaC19H19BrN4O4
Molecular Weight447.29 g/mol
Exact Mass446.06
IUPAC NameN'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide
SMILESCCNC(=O)C(=O)N/N=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C19H19BrN4O4/c1-2-21-18(26)19(27)24-22-11-13-10-14(20)8-9-16(13)28-12-17(25)23-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,21,26)(H,23,25)(H,24,27)/b22-11-
InChIKeySMSKSLRFFXZTEG-JJFYIABZSA-N
XLogP2.05
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.29
LogP ≤ 52.05
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)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-[(2S)-butan-2-yl]oxamide
CID 126274900
N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide
CID 8990212
N'-[(Z)-[2-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-ethyloxamide
CID 126158974
N'-[(Z)-[5-bromo-2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126169911
2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
CID 19619525
N'-[(Z)-[2-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 126175058
N'-[(Z)-[5-bromo-2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-butoxyphenyl)oxamide
CID 126169805
N-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide
CID 8988880
N'-[(Z)-[5-bromo-2-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-butyloxamide
CID 126161516
N'-[(Z)-[5-bromo-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
CID 126263711
N'-[(Z)-[5-bromo-2-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
CID 126273086
N'-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 8931387

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide?
The IUPAC name of N'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide (CID 126181829) is N'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide.
What is the SMILES notation for N'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide?
The canonical SMILES for N'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide is CCNC(=O)C(=O)N/N=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of N'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide?
The InChIKey is SMSKSLRFFXZTEG-JJFYIABZSA-N. The full InChI is InChI=1S/C19H19BrN4O4/c1-2-21-18(26)19(27)24-22-11-13-10-14(20)8-9-16(13)28-12-17(25)23-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,21,26)(H,23,25)(H,24,27)/b22-11-.
What are the key properties of N'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide?
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide has a molecular weight of 447.29 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide is sourced from PubChem (CID 126181829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).