N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide

C22H19N3O4 — CID 1105534

IUPACN-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide
SMILESO=C(COc1ccc(C=NNC(=O)c2ccccc2O)cc1)Nc1ccccc1
InChIInChI=1S/C22H19N3O4/c26-20-9-5-4-8-19(20)22(28)25-23-14-16-10-12-18(13-11-16)29-15-21(27)24-17-6-2-1-3-7-17/h1-14,26H,15H2,(H,24,27)(H,25,28)
InChIKeyCCINUCVYCWIIPV-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.17
Rot. Bonds7

About N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide

N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide (PubChem CID 1105534) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide
PubChem CID1105534
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide
SMILESO=C(COc1ccc(C=NNC(=O)c2ccccc2O)cc1)Nc1ccccc1
InChIInChI=1S/C22H19N3O4/c26-20-9-5-4-8-19(20)22(28)25-23-14-16-10-12-18(13-11-16)29-15-21(27)24-17-6-2-1-3-7-17/h1-14,26H,15H2,(H,24,27)(H,25,28)
InChIKeyCCINUCVYCWIIPV-UHFFFAOYSA-N
XLogP3.17
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.17
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide
CID 96877628
N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide
CID 92850574
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
CID 19657451
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide
CID 94833201
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2,2-diphenylacetamide
CID 94833111
N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6091071
4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide
CID 3595179
2-chloro-N-[[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 4997458
4-methoxy-N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 92850497
2,4-dichloro-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 92850563
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 94832791

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide (CID 1105534) is N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide is O=C(COc1ccc(C=NNC(=O)c2ccccc2O)cc1)Nc1ccccc1.
What is the InChIKey of N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is CCINUCVYCWIIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c26-20-9-5-4-8-19(20)22(28)25-23-14-16-10-12-18(13-11-16)29-15-21(27)24-17-6-2-1-3-7-17/h1-14,26H,15H2,(H,24,27)(H,25,28).
What are the key properties of N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide?
N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 389.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 1105534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).