[3-(C-chloro-N-hydroxycarbonimidoyl)phenyl] N-ethylcarbamate

C10H11ClN2O3 — CID 88546041

IUPAC[3-(C-chloro-N-hydroxycarbonimidoyl)phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1cccc(C(Cl)=NO)c1
InChIInChI=1S/C10H11ClN2O3/c1-2-12-10(14)16-8-5-3-4-7(6-8)9(11)13-15/h3-6,15H,2H2,1H3,(H,12,14)
InChIKeyLQNUSQPNHHLOAD-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.17
Rot. Bonds3

About [3-(C-chloro-N-hydroxycarbonimidoyl)phenyl] N-ethylcarbamate

[3-(C-chloro-N-hydroxycarbonimidoyl)phenyl] N-ethylcarbamate (PubChem CID 88546041) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is [3-(C-chloro-N-hydroxycarbonimidoyl)phenyl] N-ethylcarbamate.

Molecular Properties

Compound Name[3-(C-chloro-N-hydroxycarbonimidoyl)phenyl] N-ethylcarbamate
PubChem CID88546041
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name[3-(C-chloro-N-hydroxycarbonimidoyl)phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1cccc(C(Cl)=NO)c1
InChIInChI=1S/C10H11ClN2O3/c1-2-12-10(14)16-8-5-3-4-7(6-8)9(11)13-15/h3-6,15H,2H2,1H3,(H,12,14)
InChIKeyLQNUSQPNHHLOAD-UHFFFAOYSA-N
XLogP2.17
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-3-ethoxy-N-hydroxybenzenecarboximidoyl chloride
CID 12024113
2-[3-(ethylcarbamoyloxy)phenyl]acetic acid
CID 144799433
methyl 3-[(E)-C-chloro-N-hydroxycarbonimidoyl]benzoate
CID 87739837
(3-nitrophenyl) N-ethylcarbamate
CID 57143264
[3-(diethylamino)phenyl] N-ethylcarbamate;iodomethane
CID 23621882
[3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethylcarbamate
CID 169440124
(3-acetylphenyl) carbonochloridate
CID 13097700
3-(2,5-dichlorophenoxy)-N-ethylbenzamide
CID 12941782
3-(2-chloro-4-methylphenoxy)-N-ethylbenzamide
CID 12941937
(2,3-dimethylphenyl) N-ethylcarbamate
CID 127545689
(3-methylphenyl) N-benzoylcarbamate
CID 790837
(3-methylphenyl) N-[2-(methylamino)ethyl]carbamate
CID 83820443

Frequently Asked Questions

What is the IUPAC name of [3-(C-chloro-N-hydroxycarbonimidoyl)phenyl] N-ethylcarbamate?
The IUPAC name of [3-(C-chloro-N-hydroxycarbonimidoyl)phenyl] N-ethylcarbamate (CID 88546041) is [3-(C-chloro-N-hydroxycarbonimidoyl)phenyl] N-ethylcarbamate.
What is the SMILES notation for [3-(C-chloro-N-hydroxycarbonimidoyl)phenyl] N-ethylcarbamate?
The canonical SMILES for [3-(C-chloro-N-hydroxycarbonimidoyl)phenyl] N-ethylcarbamate is CCNC(=O)Oc1cccc(C(Cl)=NO)c1.
What is the InChIKey of [3-(C-chloro-N-hydroxycarbonimidoyl)phenyl] N-ethylcarbamate?
The InChIKey is LQNUSQPNHHLOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-2-12-10(14)16-8-5-3-4-7(6-8)9(11)13-15/h3-6,15H,2H2,1H3,(H,12,14).
What are the key properties of [3-(C-chloro-N-hydroxycarbonimidoyl)phenyl] N-ethylcarbamate?
[3-(C-chloro-N-hydroxycarbonimidoyl)phenyl] N-ethylcarbamate has a molecular weight of 242.66 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(C-chloro-N-hydroxycarbonimidoyl)phenyl] N-ethylcarbamate is sourced from PubChem (CID 88546041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).