N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide

C15H13ClN2O3 — CID 1285426

IUPACN-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C=NO)c1)Nc1ccccc1Cl
InChIInChI=1S/C15H13ClN2O3/c16-13-6-1-2-7-14(13)18-15(19)10-21-12-5-3-4-11(8-12)9-17-20/h1-9,20H,10H2,(H,18,19)
InChIKeyBBAGXHIMHRAELE-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.17
Rot. Bonds5

About N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide

N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide (PubChem CID 1285426) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide
PubChem CID1285426
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC NameN-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C=NO)c1)Nc1ccccc1Cl
InChIInChI=1S/C15H13ClN2O3/c16-13-6-1-2-7-14(13)18-15(19)10-21-12-5-3-4-11(8-12)9-17-20/h1-9,20H,10H2,(H,18,19)
InChIKeyBBAGXHIMHRAELE-UHFFFAOYSA-N
XLogP3.17
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126265913
N'-[(Z)-[3-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-chlorophenyl)oxamide
CID 126171597
N'-[(Z)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyethyl)oxamide
CID 126182479
N'-[(Z)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126161944
N'-[(Z)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 126180453
N-butyl-N'-[(Z)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126172743
N'-[(Z)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126278499
N-(4-fluorophenyl)-2-[3-[(E)-hydroxyiminomethyl]phenoxy]acetamide
CID 124551098
N'-[(Z)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126279830
3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate
CID 2229520
N-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide
CID 4022136
N-(2-chlorophenyl)-2-[3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetamide
CID 126267213

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide (CID 1285426) is N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide is O=C(COc1cccc(C=NO)c1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide?
The InChIKey is BBAGXHIMHRAELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-13-6-1-2-7-14(13)18-15(19)10-21-12-5-3-4-11(8-12)9-17-20/h1-9,20H,10H2,(H,18,19).
What are the key properties of N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide?
N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide has a molecular weight of 304.73 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide is sourced from PubChem (CID 1285426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).