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

C17H17ClN2O3 — CID 139609028

IUPACethyl N-[[1-(4-chlorophenyl)-2-hydroxy-2-phenylethylidene]amino]carbamate
SMILESCCOC(=O)NN=C(c1ccc(Cl)cc1)C(O)c1ccccc1
InChIInChI=1S/C17H17ClN2O3/c1-2-23-17(22)20-19-15(12-8-10-14(18)11-9-12)16(21)13-6-4-3-5-7-13/h3-11,16,21H,2H2,1H3,(H,20,22)
InChIKeyDPLAOQAVQZUAQY-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.52
Rot. Bonds5

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

ethyl N-[[1-(4-chlorophenyl)-2-hydroxy-2-phenylethylidene]amino]carbamate (PubChem CID 139609028) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is ethyl N-[[1-(4-chlorophenyl)-2-hydroxy-2-phenylethylidene]amino]carbamate.

Molecular Properties

Compound Nameethyl N-[[1-(4-chlorophenyl)-2-hydroxy-2-phenylethylidene]amino]carbamate
PubChem CID139609028
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Nameethyl N-[[1-(4-chlorophenyl)-2-hydroxy-2-phenylethylidene]amino]carbamate
SMILESCCOC(=O)NN=C(c1ccc(Cl)cc1)C(O)c1ccccc1
InChIInChI=1S/C17H17ClN2O3/c1-2-23-17(22)20-19-15(12-8-10-14(18)11-9-12)16(21)13-6-4-3-5-7-13/h3-11,16,21H,2H2,1H3,(H,20,22)
InChIKeyDPLAOQAVQZUAQY-UHFFFAOYSA-N
XLogP3.52
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.52
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-[(Z)-(2,2-dichloro-1-phenylethylidene)amino]carbamate
CID 11807913
ethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate
CID 86662431
[4-[1-(4-chlorophenyl)-2-(ethoxycarbonylhydrazinylidene)-2-phenylethyl]phenyl] trifluoromethanesulfonate
CID 139990964
ethyl N-[2-(4-chlorophenyl)-3-hydroxy-3-phenylpropyl]carbamate
CID 118675481
N,N'-bis[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]oxamide
CID 132833444
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl N-[[[4-(bromomethyl)phenyl]-(4-chlorophenyl)methylidene]amino]carbamate
CID 139790371
(2R)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6948447
ethyl N-[1-[4-(difluoromethoxy)phenyl]propylideneamino]carbamate
CID 4573633
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[1-(4-chlorophenyl)-2-hydroxy-2-phenylethylidene]amino]carbamate?
The IUPAC name of ethyl N-[[1-(4-chlorophenyl)-2-hydroxy-2-phenylethylidene]amino]carbamate (CID 139609028) is ethyl N-[[1-(4-chlorophenyl)-2-hydroxy-2-phenylethylidene]amino]carbamate.
What is the SMILES notation for ethyl N-[[1-(4-chlorophenyl)-2-hydroxy-2-phenylethylidene]amino]carbamate?
The canonical SMILES for ethyl N-[[1-(4-chlorophenyl)-2-hydroxy-2-phenylethylidene]amino]carbamate is CCOC(=O)NN=C(c1ccc(Cl)cc1)C(O)c1ccccc1.
What is the InChIKey of ethyl N-[[1-(4-chlorophenyl)-2-hydroxy-2-phenylethylidene]amino]carbamate?
The InChIKey is DPLAOQAVQZUAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-2-23-17(22)20-19-15(12-8-10-14(18)11-9-12)16(21)13-6-4-3-5-7-13/h3-11,16,21H,2H2,1H3,(H,20,22).
What are the key properties of ethyl N-[[1-(4-chlorophenyl)-2-hydroxy-2-phenylethylidene]amino]carbamate?
ethyl N-[[1-(4-chlorophenyl)-2-hydroxy-2-phenylethylidene]amino]carbamate has a molecular weight of 332.79 g/mol, XLogP of 3.52, 5 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-hydroxy-2-phenylethylidene]amino]carbamate is sourced from PubChem (CID 139609028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).