methyl 2-chloro-N-ethoxybenzenecarboximidate

C10H12ClNO2 — CID 54027994

IUPACmethyl 2-chloro-N-ethoxybenzenecarboximidate
SMILESCCON=C(OC)c1ccccc1Cl
InChIInChI=1S/C10H12ClNO2/c1-3-14-12-10(13-2)8-6-4-5-7-9(8)11/h4-7H,3H2,1-2H3
InChIKeyPREJJDKYUOCBET-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.68
Rot. Bonds3

About methyl 2-chloro-N-ethoxybenzenecarboximidate

methyl 2-chloro-N-ethoxybenzenecarboximidate (PubChem CID 54027994) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is methyl 2-chloro-N-ethoxybenzenecarboximidate.

Molecular Properties

Compound Namemethyl 2-chloro-N-ethoxybenzenecarboximidate
PubChem CID54027994
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Namemethyl 2-chloro-N-ethoxybenzenecarboximidate
SMILESCCON=C(OC)c1ccccc1Cl
InChIInChI=1S/C10H12ClNO2/c1-3-14-12-10(13-2)8-6-4-5-7-9(8)11/h4-7H,3H2,1-2H3
InChIKeyPREJJDKYUOCBET-UHFFFAOYSA-N
XLogP2.68
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-ethoxy-1-(2-methoxyphenyl)ethanimine
CID 89151360
methyl (2E)-2-ethoxyimino-2-(2-methanidylphenyl)acetate;uranium
CID 59896432
methyl 2-[2-(bromomethyl)phenyl]-2-ethoxyiminoacetate
CID 142629069
2-chloro-N'-diethoxyphosphorylbenzenecarboximidamide
CID 165350563
1,2-dichlorobenzene;ethoxyethane
CID 68845412
2-chloro-N-(pentan-3-ylideneamino)benzamide
CID 4620662
2-[2-(chloromethyl)phenyl]-2-ethoxyiminoacetic acid
CID 53394940
(2E)-2-[2-(chloromethyl)phenyl]-2-ethoxyiminoacetic acid
CID 45108226
2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4096350
2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride
CID 54129940
2-chloro-N-[3-[(E)-ethoxyiminomethyl]phenyl]benzamide
CID 46654984
2-[(2-chlorophenyl)-methoxymethylidene]propanedinitrile
CID 22308706

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-N-ethoxybenzenecarboximidate?
The IUPAC name of methyl 2-chloro-N-ethoxybenzenecarboximidate (CID 54027994) is methyl 2-chloro-N-ethoxybenzenecarboximidate.
What is the SMILES notation for methyl 2-chloro-N-ethoxybenzenecarboximidate?
The canonical SMILES for methyl 2-chloro-N-ethoxybenzenecarboximidate is CCON=C(OC)c1ccccc1Cl.
What is the InChIKey of methyl 2-chloro-N-ethoxybenzenecarboximidate?
The InChIKey is PREJJDKYUOCBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-3-14-12-10(13-2)8-6-4-5-7-9(8)11/h4-7H,3H2,1-2H3.
What are the key properties of methyl 2-chloro-N-ethoxybenzenecarboximidate?
methyl 2-chloro-N-ethoxybenzenecarboximidate has a molecular weight of 213.66 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-N-ethoxybenzenecarboximidate is sourced from PubChem (CID 54027994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).