(1Z)-N-methoxy-2-(methoxymethyl)benzenecarboximidoyl chloride

C10H12ClNO2 — CID 18713744

IUPAC(1Z)-N-methoxy-2-(methoxymethyl)benzenecarboximidoyl chloride
SMILESCOCc1ccccc1/C(Cl)=N/OC
InChIInChI=1S/C10H12ClNO2/c1-13-7-8-5-3-4-6-9(8)10(11)12-14-2/h3-6H,7H2,1-2H3/b12-10-
InChIKeyIYXWSHQYOKZTRJ-BENRWUELSA-N
MW213.66 g/mol
LogP2.38
Rot. Bonds4

About (1Z)-N-methoxy-2-(methoxymethyl)benzenecarboximidoyl chloride

(1Z)-N-methoxy-2-(methoxymethyl)benzenecarboximidoyl chloride (PubChem CID 18713744) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (1Z)-N-methoxy-2-(methoxymethyl)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-N-methoxy-2-(methoxymethyl)benzenecarboximidoyl chloride
PubChem CID18713744
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(1Z)-N-methoxy-2-(methoxymethyl)benzenecarboximidoyl chloride
SMILESCOCc1ccccc1/C(Cl)=N/OC
InChIInChI=1S/C10H12ClNO2/c1-13-7-8-5-3-4-6-9(8)10(11)12-14-2/h3-6H,7H2,1-2H3/b12-10-
InChIKeyIYXWSHQYOKZTRJ-BENRWUELSA-N
XLogP2.38
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.38
H-Bond Donors ≤ 50
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'}

Analyze (1Z)-N-methoxy-2-(methoxymethyl)benzenecarboximidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-amino-2-(methoxymethyl)benzenecarboximidamide
CID 77073813
(1Z)-2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]-N-methoxybenzenecarboximidoyl chloride
CID 18930053
N-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine
CID 72608293
2-(methoxymethyl)-N-methylbenzamide
CID 60753373
methoxymethylbenzene;2-(methoxymethyl)benzoic acid
CID 175486457
(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride
CID 15300766
N,2-bis(methoxymethyl)benzamide
CID 91153220
(Z)-1-(2-ethylphenyl)-N-methoxyethanimine
CID 59119889
(2E)-2-[2-[[(E)-1-(4-chlorophenyl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylethanimidoyl chloride
CID 59871403
propyl 2-(methoxymethyl)benzoate
CID 78862382
methyl (3Z)-3-[2-(chloromethyl)phenyl]-3-methoxyiminopropanoate
CID 143380494
(1Z)-1-[2-(chloromethyl)phenyl]-1-methoxyiminopropan-2-one
CID 90868224

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-methoxy-2-(methoxymethyl)benzenecarboximidoyl chloride?
The IUPAC name of (1Z)-N-methoxy-2-(methoxymethyl)benzenecarboximidoyl chloride (CID 18713744) is (1Z)-N-methoxy-2-(methoxymethyl)benzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-N-methoxy-2-(methoxymethyl)benzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-N-methoxy-2-(methoxymethyl)benzenecarboximidoyl chloride is COCc1ccccc1/C(Cl)=N/OC.
What is the InChIKey of (1Z)-N-methoxy-2-(methoxymethyl)benzenecarboximidoyl chloride?
The InChIKey is IYXWSHQYOKZTRJ-BENRWUELSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-13-7-8-5-3-4-6-9(8)10(11)12-14-2/h3-6H,7H2,1-2H3/b12-10-.
What are the key properties of (1Z)-N-methoxy-2-(methoxymethyl)benzenecarboximidoyl chloride?
(1Z)-N-methoxy-2-(methoxymethyl)benzenecarboximidoyl chloride has a molecular weight of 213.66 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-methoxy-2-(methoxymethyl)benzenecarboximidoyl chloride is sourced from PubChem (CID 18713744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).