ethyl N-[1-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)ethylideneamino]carbamate

C16H20ClFN2O3 — CID 139794452

IUPACethyl N-[1-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)ethylideneamino]carbamate
SMILESCCOC(=O)NN=C(C)c1cc(OC2CCCC2)c(Cl)cc1F
InChIInChI=1S/C16H20ClFN2O3/c1-3-22-16(21)20-19-10(2)12-8-15(13(17)9-14(12)18)23-11-6-4-5-7-11/h8-9,11H,3-7H2,1-2H3,(H,20,21)
InChIKeyUCYFSSPRBKWZMH-UHFFFAOYSA-N
MW342.80 g/mol
LogP4.27
Rot. Bonds5

About ethyl N-[1-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)ethylideneamino]carbamate

ethyl N-[1-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)ethylideneamino]carbamate (PubChem CID 139794452) has the molecular formula C16H20ClFN2O3 and a molecular weight of 342.80 g/mol. Its IUPAC name is ethyl N-[1-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)ethylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)ethylideneamino]carbamate
PubChem CID139794452
Molecular FormulaC16H20ClFN2O3
Molecular Weight342.80 g/mol
Exact Mass342.11
IUPAC Nameethyl N-[1-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)ethylideneamino]carbamate
SMILESCCOC(=O)NN=C(C)c1cc(OC2CCCC2)c(Cl)cc1F
InChIInChI=1S/C16H20ClFN2O3/c1-3-22-16(21)20-19-10(2)12-8-15(13(17)9-14(12)18)23-11-6-4-5-7-11/h8-9,11H,3-7H2,1-2H3,(H,20,21)
InChIKeyUCYFSSPRBKWZMH-UHFFFAOYSA-N
XLogP4.27
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 54.27
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

US11427553, Example Intermediate 73
CID 137462709
5-(4-Chloro-3-(trifluoromethoxy)phenyl)-1,3,4-oxadiazol-2-ol
CID 152659009
5-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-3H-1,3,4-oxadiazol-2-one
CID 22365358
3-Tert-butyl-5-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one
CID 67928713
[(2E)-2-[4-chloro-3-(trifluoromethoxy)phenyl]-2-(methoxycarbonylhydrazinylidene)ethyl] acetate
CID 137475468
[[2-Acetyloxy-1-[4-chloro-3-(trifluoromethoxy)phenyl]ethylidene]amino]carbamic acid
CID 175772654
3-[(4-chloro-3-pentan-3-yloxyphenyl)methyl]-1H-pyridazin-6-one
CID 18440206
5-[(4-chloro-3-phenoxyphenyl)methyl]-3H-1,3,4-oxadiazol-2-one
CID 18456869
5-(2,4-dichloro-5-propan-2-yloxyphenyl)-3H-1,3,4-oxadiazol-2-one
CID 21656094
ethyl N-[1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]carbamate
CID 4101468
ethyl N-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]carbamate
CID 6010212
ethyl (2E)-2-(1-{4-[(4-chlorobenzyl)oxy]phenyl}ethylidene)hydrazinecarboxylate
CID 9647045

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)ethylideneamino]carbamate?
The IUPAC name of ethyl N-[1-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)ethylideneamino]carbamate (CID 139794452) is ethyl N-[1-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)ethylideneamino]carbamate.
What is the SMILES notation for ethyl N-[1-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)ethylideneamino]carbamate?
The canonical SMILES for ethyl N-[1-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)ethylideneamino]carbamate is CCOC(=O)NN=C(C)c1cc(OC2CCCC2)c(Cl)cc1F.
What is the InChIKey of ethyl N-[1-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)ethylideneamino]carbamate?
The InChIKey is UCYFSSPRBKWZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O3/c1-3-22-16(21)20-19-10(2)12-8-15(13(17)9-14(12)18)23-11-6-4-5-7-11/h8-9,11H,3-7H2,1-2H3,(H,20,21).
What are the key properties of ethyl N-[1-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)ethylideneamino]carbamate?
ethyl N-[1-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)ethylideneamino]carbamate has a molecular weight of 342.80 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)ethylideneamino]carbamate is sourced from PubChem (CID 139794452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).