N-ethyl-4-methoxybenzenecarboximidoyl chloride

C10H12ClNO — CID 18948655

IUPACN-ethyl-4-methoxybenzenecarboximidoyl chloride
SMILESCC/N=C(\Cl)c1ccc(OC)cc1
InChIInChI=1S/C10H12ClNO/c1-3-12-10(11)8-4-6-9(13-2)7-5-8/h4-7H,3H2,1-2H3/b12-10-
InChIKeyMKDJHZDEUBNJJM-BENRWUELSA-N
MW197.66 g/mol
LogP2.70
Rot. Bonds3

About N-ethyl-4-methoxybenzenecarboximidoyl chloride

N-ethyl-4-methoxybenzenecarboximidoyl chloride (PubChem CID 18948655) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is N-ethyl-4-methoxybenzenecarboximidoyl chloride.

Molecular Properties

Compound NameN-ethyl-4-methoxybenzenecarboximidoyl chloride
PubChem CID18948655
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC NameN-ethyl-4-methoxybenzenecarboximidoyl chloride
SMILESCC/N=C(\Cl)c1ccc(OC)cc1
InChIInChI=1S/C10H12ClNO/c1-3-12-10(11)8-4-6-9(13-2)7-5-8/h4-7H,3H2,1-2H3/b12-10-
InChIKeyMKDJHZDEUBNJJM-BENRWUELSA-N
XLogP2.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methoxybenzenecarbohydrazonoyl chloride
CID 175972559
N-(4-chlorophenyl)-4-methoxybenzenecarboximidoyl chloride
CID 24827368
[(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate
CID 88820123
(1Z)-4-methoxy-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride
CID 23281221
1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene
CID 44604980
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701
1-methoxy-4-pent-2-en-3-ylbenzene
CID 85440848
(E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol
CID 58223742
CID 12714057
CID 12714057
(Z)-N-ethoxy-1-(4-methoxyphenyl)ethanimine
CID 142977776
(E)-1-(4-methoxyphenyl)-N-(trimethylsilylmethyl)ethanimine
CID 134988572
1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene
CID 13119213

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxybenzenecarboximidoyl chloride?
The IUPAC name of N-ethyl-4-methoxybenzenecarboximidoyl chloride (CID 18948655) is N-ethyl-4-methoxybenzenecarboximidoyl chloride.
What is the SMILES notation for N-ethyl-4-methoxybenzenecarboximidoyl chloride?
The canonical SMILES for N-ethyl-4-methoxybenzenecarboximidoyl chloride is CC/N=C(\Cl)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-4-methoxybenzenecarboximidoyl chloride?
The InChIKey is MKDJHZDEUBNJJM-BENRWUELSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-3-12-10(11)8-4-6-9(13-2)7-5-8/h4-7H,3H2,1-2H3/b12-10-.
What are the key properties of N-ethyl-4-methoxybenzenecarboximidoyl chloride?
N-ethyl-4-methoxybenzenecarboximidoyl chloride has a molecular weight of 197.66 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxybenzenecarboximidoyl chloride is sourced from PubChem (CID 18948655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).