2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide

C16H15ClN2O2 — CID 7643814

IUPAC2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(CO/N=C\c1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O2/c17-15-9-5-4-8-14(15)11-18-16(20)12-21-19-10-13-6-2-1-3-7-13/h1-10H,11-12H2,(H,18,20)/b19-10-
InChIKeyRLTPMKQUGRKMPS-GRSHGNNSSA-N
MW302.76 g/mol
LogP3.01
Rot. Bonds6

About 2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide

2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 7643814) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID7643814
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(CO/N=C\c1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O2/c17-15-9-5-4-8-14(15)11-18-16(20)12-21-19-10-13-6-2-1-3-7-13/h1-10H,11-12H2,(H,18,20)/b19-10-
InChIKeyRLTPMKQUGRKMPS-GRSHGNNSSA-N
XLogP3.01
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate
CID 2624351
N-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide
CID 7701233
2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide
CID 24606299
N-[(2,4-dichlorophenyl)methyl]-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670318
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
N-[(2-chlorophenyl)methyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2602916
2-[(E)-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-phenylacetamide
CID 126373978
N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 619799
ethyl 3-[(2-chlorophenyl)methylamino]-3-oxopropanoate
CID 23404876
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 7639773
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide (CID 7643814) is 2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide is O=C(CO/N=C\c1ccccc1)NCc1ccccc1Cl.
What is the InChIKey of 2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is RLTPMKQUGRKMPS-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-15-9-5-4-8-14(15)11-18-16(20)12-21-19-10-13-6-2-1-3-7-13/h1-10H,11-12H2,(H,18,20)/b19-10-.
What are the key properties of 2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide?
2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 302.76 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 7643814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).