[4-chloro-2-(ethoxyiminomethyl)phenyl] N-propylcarbamate

C13H17ClN2O3 — CID 54338352

IUPAC[4-chloro-2-(ethoxyiminomethyl)phenyl] N-propylcarbamate
SMILESCCCNC(=O)Oc1ccc(Cl)cc1C=NOCC
InChIInChI=1S/C13H17ClN2O3/c1-3-7-15-13(17)19-12-6-5-11(14)8-10(12)9-16-18-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyTXDHYCSWKQEMGR-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.21
Rot. Bonds6

About [4-chloro-2-(ethoxyiminomethyl)phenyl] N-propylcarbamate

[4-chloro-2-(ethoxyiminomethyl)phenyl] N-propylcarbamate (PubChem CID 54338352) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is [4-chloro-2-(ethoxyiminomethyl)phenyl] N-propylcarbamate.

Molecular Properties

Compound Name[4-chloro-2-(ethoxyiminomethyl)phenyl] N-propylcarbamate
PubChem CID54338352
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name[4-chloro-2-(ethoxyiminomethyl)phenyl] N-propylcarbamate
SMILESCCCNC(=O)Oc1ccc(Cl)cc1C=NOCC
InChIInChI=1S/C13H17ClN2O3/c1-3-7-15-13(17)19-12-6-5-11(14)8-10(12)9-16-18-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyTXDHYCSWKQEMGR-UHFFFAOYSA-N
XLogP3.21
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[(E)-ethoxyiminomethyl]phenol
CID 135674625
[4-chloro-2-(prop-2-ynoxyiminomethyl)phenyl] acetate
CID 54278474
ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate
CID 173365405
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
CID 5426098
ethyl N-[[5-chloro-2-[3-(4-chlorophenoxy)propoxy]phenyl]methylideneamino]carbamate
CID 5142623
(E)-3-[5-chloro-2-[2-oxo-2-(propylamino)ethoxy]phenyl]prop-2-enoic acid
CID 43142029
[4-chloro-2-[(Z)-prop-2-ynoxyiminomethyl]phenyl] 4-methyl-4-nitropentanoate
CID 134105862
propyl 3-[(E)-(2,4-dichlorophenyl)methylideneamino]oxypropanoate
CID 173365406
2-[(E)-[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide
CID 17371873
2-[[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide
CID 40610904
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-hexylcarbamate
CID 46231907
(2-ethylphenyl) N-propylcarbamate
CID 127559161

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(ethoxyiminomethyl)phenyl] N-propylcarbamate?
The IUPAC name of [4-chloro-2-(ethoxyiminomethyl)phenyl] N-propylcarbamate (CID 54338352) is [4-chloro-2-(ethoxyiminomethyl)phenyl] N-propylcarbamate.
What is the SMILES notation for [4-chloro-2-(ethoxyiminomethyl)phenyl] N-propylcarbamate?
The canonical SMILES for [4-chloro-2-(ethoxyiminomethyl)phenyl] N-propylcarbamate is CCCNC(=O)Oc1ccc(Cl)cc1C=NOCC.
What is the InChIKey of [4-chloro-2-(ethoxyiminomethyl)phenyl] N-propylcarbamate?
The InChIKey is TXDHYCSWKQEMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-3-7-15-13(17)19-12-6-5-11(14)8-10(12)9-16-18-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of [4-chloro-2-(ethoxyiminomethyl)phenyl] N-propylcarbamate?
[4-chloro-2-(ethoxyiminomethyl)phenyl] N-propylcarbamate has a molecular weight of 284.74 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(ethoxyiminomethyl)phenyl] N-propylcarbamate is sourced from PubChem (CID 54338352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).