[3-(ethoxycarbonylamino)phenyl] (E)-3-(4-fluorophenyl)prop-2-enoate

C18H16FNO4 — CID 34739287

IUPAC[3-(ethoxycarbonylamino)phenyl] (E)-3-(4-fluorophenyl)prop-2-enoate
SMILESCCOC(=O)Nc1cccc(OC(=O)/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C18H16FNO4/c1-2-23-18(22)20-15-4-3-5-16(12-15)24-17(21)11-8-13-6-9-14(19)10-7-13/h3-12H,2H2,1H3,(H,20,22)/b11-8+
InChIKeyWFXVFDIFIKCSOH-DHZHZOJOSA-N
MW329.33 g/mol
LogP4.01
Rot. Bonds5

About [3-(ethoxycarbonylamino)phenyl] (E)-3-(4-fluorophenyl)prop-2-enoate

[3-(ethoxycarbonylamino)phenyl] (E)-3-(4-fluorophenyl)prop-2-enoate (PubChem CID 34739287) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is [3-(ethoxycarbonylamino)phenyl] (E)-3-(4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[3-(ethoxycarbonylamino)phenyl] (E)-3-(4-fluorophenyl)prop-2-enoate
PubChem CID34739287
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name[3-(ethoxycarbonylamino)phenyl] (E)-3-(4-fluorophenyl)prop-2-enoate
SMILESCCOC(=O)Nc1cccc(OC(=O)/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C18H16FNO4/c1-2-23-18(22)20-15-4-3-5-16(12-15)24-17(21)11-8-13-6-9-14(19)10-7-13/h3-12H,2H2,1H3,(H,20,22)/b11-8+
InChIKeyWFXVFDIFIKCSOH-DHZHZOJOSA-N
XLogP4.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(ethoxycarbonylamino)phenyl] (E)-3-(4-fluorophenyl)prop-2-enoate 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

[2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2552651
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
[2-(3-fluoroanilino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2552357
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
[3-(ethoxycarbonylamino)phenyl] 3-(2-fluorophenyl)propanoate
CID 51182446
[3-(ethoxycarbonylamino)phenyl] 2,5-difluorobenzenesulfonate
CID 39792626
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
[3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate
CID 51154456
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144
(3-fluorophenyl) (E)-3-(4-acetyloxyphenyl)prop-2-enoate
CID 175109275

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxycarbonylamino)phenyl] (E)-3-(4-fluorophenyl)prop-2-enoate?
The IUPAC name of [3-(ethoxycarbonylamino)phenyl] (E)-3-(4-fluorophenyl)prop-2-enoate (CID 34739287) is [3-(ethoxycarbonylamino)phenyl] (E)-3-(4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for [3-(ethoxycarbonylamino)phenyl] (E)-3-(4-fluorophenyl)prop-2-enoate?
The canonical SMILES for [3-(ethoxycarbonylamino)phenyl] (E)-3-(4-fluorophenyl)prop-2-enoate is CCOC(=O)Nc1cccc(OC(=O)/C=C/c2ccc(F)cc2)c1.
What is the InChIKey of [3-(ethoxycarbonylamino)phenyl] (E)-3-(4-fluorophenyl)prop-2-enoate?
The InChIKey is WFXVFDIFIKCSOH-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-2-23-18(22)20-15-4-3-5-16(12-15)24-17(21)11-8-13-6-9-14(19)10-7-13/h3-12H,2H2,1H3,(H,20,22)/b11-8+.
What are the key properties of [3-(ethoxycarbonylamino)phenyl] (E)-3-(4-fluorophenyl)prop-2-enoate?
[3-(ethoxycarbonylamino)phenyl] (E)-3-(4-fluorophenyl)prop-2-enoate has a molecular weight of 329.33 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxycarbonylamino)phenyl] (E)-3-(4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 34739287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).