ethyl 4-chlorobenzenecarboximidate

C9H10ClNO — CID 10655070

IUPACethyl 4-chlorobenzenecarboximidate
SMILES[H]/N=C(\OCC)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,11H,2H2,1H3/b11-9-
InChIKeyXHYSKFPWUYZGCV-LUAWRHEFSA-N
MW183.64 g/mol
LogP2.70
Rot. Bonds2

About ethyl 4-chlorobenzenecarboximidate

ethyl 4-chlorobenzenecarboximidate (PubChem CID 10655070) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is ethyl 4-chlorobenzenecarboximidate.

Molecular Properties

Compound Nameethyl 4-chlorobenzenecarboximidate
PubChem CID10655070
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Nameethyl 4-chlorobenzenecarboximidate
SMILES[H]/N=C(\OCC)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,11H,2H2,1H3/b11-9-
InChIKeyXHYSKFPWUYZGCV-LUAWRHEFSA-N
XLogP2.70
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)
CID 79249
Benzoic acid, p-chlorothio-, O-ethyl ester
CID 84101
Methyl benzimidate hydrochloride
CID 5743287
4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile
CID 97941
4-Chloro-gamma-ethoxybenzenebutanenitrile
CID 97939
3,5-Bis(4-chlorophenyl)-1,4,2-dioxazole
CID 25268582
Ethyl benzimidate
CID 79250
Benzene, 1-chloro-4-((2-propyn-1-yloxy)methyl)-
CID 10559300
2-[(4-Chlorophenyl)methoxy]ethan-1-amine
CID 5151145
5-(4-Chlorophenyl)-1,3,4-oxathiazol-2-one
CID 819453
Ethyl 4-fluoro-3-chlorobenzimidate
CID 2730158
Methyl benzimidate
CID 345018

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chlorobenzenecarboximidate?
The IUPAC name of ethyl 4-chlorobenzenecarboximidate (CID 10655070) is ethyl 4-chlorobenzenecarboximidate.
What is the SMILES notation for ethyl 4-chlorobenzenecarboximidate?
The canonical SMILES for ethyl 4-chlorobenzenecarboximidate is [H]/N=C(\OCC)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 4-chlorobenzenecarboximidate?
The InChIKey is XHYSKFPWUYZGCV-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,11H,2H2,1H3/b11-9-.
What are the key properties of ethyl 4-chlorobenzenecarboximidate?
ethyl 4-chlorobenzenecarboximidate has a molecular weight of 183.64 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chlorobenzenecarboximidate is sourced from PubChem (CID 10655070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).