(2-chloro-5-ethanimidoylphenyl) carbamate

C9H9ClN2O2 — CID 175070320

IUPAC(2-chloro-5-ethanimidoylphenyl) carbamate
SMILES[H]/N=C(\C)c1ccc(Cl)c(OC(N)=O)c1
InChIInChI=1S/C9H9ClN2O2/c1-5(11)6-2-3-7(10)8(4-6)14-9(12)13/h2-4,11H,1H3,(H2,12,13)/b11-5+
InChIKeyFUDYEQIMFVGNLR-VZUCSPMQSA-N
MW212.64 g/mol
LogP2.19
Rot. Bonds2

About (2-chloro-5-ethanimidoylphenyl) carbamate

(2-chloro-5-ethanimidoylphenyl) carbamate (PubChem CID 175070320) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is (2-chloro-5-ethanimidoylphenyl) carbamate.

Molecular Properties

Compound Name(2-chloro-5-ethanimidoylphenyl) carbamate
PubChem CID175070320
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name(2-chloro-5-ethanimidoylphenyl) carbamate
SMILES[H]/N=C(\C)c1ccc(Cl)c(OC(N)=O)c1
InChIInChI=1S/C9H9ClN2O2/c1-5(11)6-2-3-7(10)8(4-6)14-9(12)13/h2-4,11H,1H3,(H2,12,13)/b11-5+
InChIKeyFUDYEQIMFVGNLR-VZUCSPMQSA-N
XLogP2.19
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-ethanimidoylphenyl) carbamate?
The IUPAC name of (2-chloro-5-ethanimidoylphenyl) carbamate (CID 175070320) is (2-chloro-5-ethanimidoylphenyl) carbamate.
What is the SMILES notation for (2-chloro-5-ethanimidoylphenyl) carbamate?
The canonical SMILES for (2-chloro-5-ethanimidoylphenyl) carbamate is [H]/N=C(\C)c1ccc(Cl)c(OC(N)=O)c1.
What is the InChIKey of (2-chloro-5-ethanimidoylphenyl) carbamate?
The InChIKey is FUDYEQIMFVGNLR-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-5(11)6-2-3-7(10)8(4-6)14-9(12)13/h2-4,11H,1H3,(H2,12,13)/b11-5+.
What are the key properties of (2-chloro-5-ethanimidoylphenyl) carbamate?
(2-chloro-5-ethanimidoylphenyl) carbamate has a molecular weight of 212.64 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-ethanimidoylphenyl) carbamate is sourced from PubChem (CID 175070320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).