(E)-3-(4-chloro-2-fluorophenyl)-N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]pentyl]prop-2-enamide

C20H29ClFNO2 — CID 166893214

IUPAC(E)-3-(4-chloro-2-fluorophenyl)-N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]pentyl]prop-2-enamide
SMILESCCCC(CN(CC)C(=O)/C=C/c1ccc(Cl)cc1F)OC(C)(C)C
InChIInChI=1S/C20H29ClFNO2/c1-6-8-17(25-20(3,4)5)14-23(7-2)19(24)12-10-15-9-11-16(21)13-18(15)22/h9-13,17H,6-8,14H2,1-5H3/b12-10+
InChIKeyDWLZCODVKFSMAO-ZRDIBKRKSA-N
MW369.91 g/mol
LogP5.32
Rot. Bonds8

About (E)-3-(4-chloro-2-fluorophenyl)-N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]pentyl]prop-2-enamide

(E)-3-(4-chloro-2-fluorophenyl)-N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]pentyl]prop-2-enamide (PubChem CID 166893214) has the molecular formula C20H29ClFNO2 and a molecular weight of 369.91 g/mol. Its IUPAC name is (E)-3-(4-chloro-2-fluorophenyl)-N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]pentyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chloro-2-fluorophenyl)-N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]pentyl]prop-2-enamide
PubChem CID166893214
Molecular FormulaC20H29ClFNO2
Molecular Weight369.91 g/mol
Exact Mass369.19
IUPAC Name(E)-3-(4-chloro-2-fluorophenyl)-N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]pentyl]prop-2-enamide
SMILESCCCC(CN(CC)C(=O)/C=C/c1ccc(Cl)cc1F)OC(C)(C)C
InChIInChI=1S/C20H29ClFNO2/c1-6-8-17(25-20(3,4)5)14-23(7-2)19(24)12-10-15-9-11-16(21)13-18(15)22/h9-13,17H,6-8,14H2,1-5H3/b12-10+
InChIKeyDWLZCODVKFSMAO-ZRDIBKRKSA-N
XLogP5.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.91
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(4-chloro-2-fluorophenyl)-N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]pentyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 692386
CID 692386
CID 5731106
CID 5731106
CID 209079
CID 209079
CID 71740979
CID 71740979
CID 35019644
CID 35019644
CID 76323268
CID 76323268
CID 76334106
CID 76334106
CID 138666346
CID 138666346
CID 158732513
CID 158732513
CID 166494667
CID 166494667
CID 169972035
CID 169972035
CID 5073211
CID 5073211

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chloro-2-fluorophenyl)-N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]pentyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chloro-2-fluorophenyl)-N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]pentyl]prop-2-enamide (CID 166893214) is (E)-3-(4-chloro-2-fluorophenyl)-N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]pentyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chloro-2-fluorophenyl)-N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]pentyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chloro-2-fluorophenyl)-N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]pentyl]prop-2-enamide is CCCC(CN(CC)C(=O)/C=C/c1ccc(Cl)cc1F)OC(C)(C)C.
What is the InChIKey of (E)-3-(4-chloro-2-fluorophenyl)-N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]pentyl]prop-2-enamide?
The InChIKey is DWLZCODVKFSMAO-ZRDIBKRKSA-N. The full InChI is InChI=1S/C20H29ClFNO2/c1-6-8-17(25-20(3,4)5)14-23(7-2)19(24)12-10-15-9-11-16(21)13-18(15)22/h9-13,17H,6-8,14H2,1-5H3/b12-10+.
What are the key properties of (E)-3-(4-chloro-2-fluorophenyl)-N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]pentyl]prop-2-enamide?
(E)-3-(4-chloro-2-fluorophenyl)-N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]pentyl]prop-2-enamide has a molecular weight of 369.91 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chloro-2-fluorophenyl)-N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]pentyl]prop-2-enamide is sourced from PubChem (CID 166893214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).