ethyl N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamate

C10H10Cl2N2O3 — CID 136750083

IUPACethyl N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H10Cl2N2O3/c1-2-17-10(16)14-13-5-6-3-7(11)4-8(12)9(6)15/h3-5,15H,2H2,1H3,(H,14,16)/b13-5-
InChIKeyMVKVCPOZAMQBKR-ACAGNQJTSA-N
MW277.11 g/mol
LogP2.78
Rot. Bonds3

About ethyl N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamate

ethyl N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamate (PubChem CID 136750083) has the molecular formula C10H10Cl2N2O3 and a molecular weight of 277.11 g/mol. Its IUPAC name is ethyl N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamate
PubChem CID136750083
Molecular FormulaC10H10Cl2N2O3
Molecular Weight277.11 g/mol
Exact Mass276.01
IUPAC Nameethyl N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H10Cl2N2O3/c1-2-17-10(16)14-13-5-6-3-7(11)4-8(12)9(6)15/h3-5,15H,2H2,1H3,(H,14,16)/b13-5-
InChIKeyMVKVCPOZAMQBKR-ACAGNQJTSA-N
XLogP2.78
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamate?
The IUPAC name of ethyl N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamate (CID 136750083) is ethyl N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamate is CCOC(=O)N/N=C\c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of ethyl N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamate?
The InChIKey is MVKVCPOZAMQBKR-ACAGNQJTSA-N. The full InChI is InChI=1S/C10H10Cl2N2O3/c1-2-17-10(16)14-13-5-6-3-7(11)4-8(12)9(6)15/h3-5,15H,2H2,1H3,(H,14,16)/b13-5-.
What are the key properties of ethyl N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamate?
ethyl N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamate has a molecular weight of 277.11 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamate is sourced from PubChem (CID 136750083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).