N-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide

C17H17ClN2O2 — CID 78773456

IUPACN-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
SMILESCO/N=C/c1ccc(C(=O)NC(C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12(15-4-3-5-16(18)10-15)20-17(21)14-8-6-13(7-9-14)11-19-22-2/h3-12H,1-2H3,(H,20,21)/b19-11+
InChIKeyHNOHOAJSEBBLIS-YBFXNURJSA-N
MW316.79 g/mol
LogP3.81
Rot. Bonds5

About N-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide

N-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide (PubChem CID 78773456) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
PubChem CID78773456
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
SMILESCO/N=C/c1ccc(C(=O)NC(C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12(15-4-3-5-16(18)10-15)20-17(21)14-8-6-13(7-9-14)11-19-22-2/h3-12H,1-2H3,(H,20,21)/b19-11+
InChIKeyHNOHOAJSEBBLIS-YBFXNURJSA-N
XLogP3.81
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.81
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

N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 27769378
2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 24606303
N-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 78776174
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylbenzamide
CID 81371582
4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372128
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213045
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide
CID 7944603
N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide
CID 107025485
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8926176
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8926175
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 9164695

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide (CID 78773456) is N-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide is CO/N=C/c1ccc(C(=O)NC(C)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide?
The InChIKey is HNOHOAJSEBBLIS-YBFXNURJSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12(15-4-3-5-16(18)10-15)20-17(21)14-8-6-13(7-9-14)11-19-22-2/h3-12H,1-2H3,(H,20,21)/b19-11+.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide?
N-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide has a molecular weight of 316.79 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide is sourced from PubChem (CID 78773456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).