3-chloro-5-(methoxyiminomethyl)benzamide

C9H9ClN2O2 — CID 142643997

IUPAC3-chloro-5-(methoxyiminomethyl)benzamide
SMILESCON=Cc1cc(Cl)cc(C(N)=O)c1
InChIInChI=1S/C9H9ClN2O2/c1-14-12-5-6-2-7(9(11)13)4-8(10)3-6/h2-5H,1H3,(H2,11,13)
InChIKeyBVIIUHSDFWTMAG-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.42
Rot. Bonds3

About 3-chloro-5-(methoxyiminomethyl)benzamide

3-chloro-5-(methoxyiminomethyl)benzamide (PubChem CID 142643997) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 3-chloro-5-(methoxyiminomethyl)benzamide.

Molecular Properties

Compound Name3-chloro-5-(methoxyiminomethyl)benzamide
PubChem CID142643997
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name3-chloro-5-(methoxyiminomethyl)benzamide
SMILESCON=Cc1cc(Cl)cc(C(N)=O)c1
InChIInChI=1S/C9H9ClN2O2/c1-14-12-5-6-2-7(9(11)13)4-8(10)3-6/h2-5H,1H3,(H2,11,13)
InChIKeyBVIIUHSDFWTMAG-UHFFFAOYSA-N
XLogP1.42
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.42
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

(Z)-1-(3,5-dichlorophenyl)-N-methoxymethanimine
CID 88631268
3-(methoxyiminomethyl)benzamide
CID 142643998
(Z)-1-(4-chlorophenyl)-N-methoxymethanimine
CID 5374184
3-chloro-5-[difluoromethoxy(methoxy)methyl]benzamide
CID 90749486
(E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine
CID 53468142
3-bromo-5-chlorobenzamide
CID 53417471
4-[(E)-(3,5-dichlorophenyl)methylideneamino]oxybenzoic acid
CID 11162667
[[N'-[(3,5-dichlorophenyl)methylideneamino]carbamimidoyl]amino] acetate
CID 91464433
(Z)-3-(3,5-dichlorophenyl)prop-2-enamide
CID 170876496
(2E)-2-(3,5-dichlorophenyl)-2-methoxyiminoacetaldehyde
CID 22790795
N-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 78773456
methyl 3-(5-carbamoyl-3-pyridinyl)prop-2-enoate
CID 169478967

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(methoxyiminomethyl)benzamide?
The IUPAC name of 3-chloro-5-(methoxyiminomethyl)benzamide (CID 142643997) is 3-chloro-5-(methoxyiminomethyl)benzamide.
What is the SMILES notation for 3-chloro-5-(methoxyiminomethyl)benzamide?
The canonical SMILES for 3-chloro-5-(methoxyiminomethyl)benzamide is CON=Cc1cc(Cl)cc(C(N)=O)c1.
What is the InChIKey of 3-chloro-5-(methoxyiminomethyl)benzamide?
The InChIKey is BVIIUHSDFWTMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-14-12-5-6-2-7(9(11)13)4-8(10)3-6/h2-5H,1H3,(H2,11,13).
What are the key properties of 3-chloro-5-(methoxyiminomethyl)benzamide?
3-chloro-5-(methoxyiminomethyl)benzamide has a molecular weight of 212.64 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(methoxyiminomethyl)benzamide is sourced from PubChem (CID 142643997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).