ethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate

C11H13ClN2O3 — CID 86662431

IUPACethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate
SMILESCCOC(=O)NN=C(CO)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O3/c1-2-17-11(16)14-13-10(7-15)8-3-5-9(12)6-4-8/h3-6,15H,2,7H2,1H3,(H,14,16)
InChIKeyOZLRSDQWUFHZGQ-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.78
Rot. Bonds4

About ethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate

ethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate (PubChem CID 86662431) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is ethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate.

Molecular Properties

Compound Nameethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate
PubChem CID86662431
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Nameethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate
SMILESCCOC(=O)NN=C(CO)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O3/c1-2-17-11(16)14-13-10(7-15)8-3-5-9(12)6-4-8/h3-6,15H,2,7H2,1H3,(H,14,16)
InChIKeyOZLRSDQWUFHZGQ-UHFFFAOYSA-N
XLogP1.78
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.78
H-Bond Donors ≤ 52
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

ethyl N-[[[4-(bromomethyl)phenyl]-(4-chlorophenyl)methylidene]amino]carbamate
CID 139790371
ethyl N-[[1-(4-chlorophenyl)-2-hydroxy-2-phenylethylidene]amino]carbamate
CID 139609028
ethyl N-[(E)-[(4-chlorophenyl)-[4-(ethylsulfanylmethyl)phenyl]methylidene]amino]carbamate
CID 11810927
N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 6011612
[(Z)-1-(4-chlorophenyl)butylideneamino]urea
CID 8971834
ethyl N-[1-[4-(difluoromethoxy)phenyl]propylideneamino]carbamate
CID 4573633
ethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate
CID 621078
ethyl N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]carbamate
CID 6015437
ethyl N-[[(4-chlorophenyl)-[5-(ethylsulfanylmethyl)thiophen-2-yl]methylidene]amino]carbamate
CID 139842844
ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate
CID 2739255
ethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
CID 87901864
ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate
CID 13021625

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate?
The IUPAC name of ethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate (CID 86662431) is ethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate.
What is the SMILES notation for ethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate?
The canonical SMILES for ethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate is CCOC(=O)NN=C(CO)c1ccc(Cl)cc1.
What is the InChIKey of ethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate?
The InChIKey is OZLRSDQWUFHZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-2-17-11(16)14-13-10(7-15)8-3-5-9(12)6-4-8/h3-6,15H,2,7H2,1H3,(H,14,16).
What are the key properties of ethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate?
ethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate has a molecular weight of 256.69 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate is sourced from PubChem (CID 86662431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).