anilino (E)-3-(2,4-difluorophenyl)prop-2-enoate

C15H11F2NO2 — CID 23333874

IUPACanilino (E)-3-(2,4-difluorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(F)cc1F)ONc1ccccc1
InChIInChI=1S/C15H11F2NO2/c16-12-8-6-11(14(17)10-12)7-9-15(19)20-18-13-4-2-1-3-5-13/h1-10,18H/b9-7+
InChIKeyWULMBGFHEFQEKF-VQHVLOKHSA-N
MW275.25 g/mol
LogP3.55
Rot. Bonds4

About anilino (E)-3-(2,4-difluorophenyl)prop-2-enoate

anilino (E)-3-(2,4-difluorophenyl)prop-2-enoate (PubChem CID 23333874) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is anilino (E)-3-(2,4-difluorophenyl)prop-2-enoate.

Molecular Properties

Compound Nameanilino (E)-3-(2,4-difluorophenyl)prop-2-enoate
PubChem CID23333874
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Nameanilino (E)-3-(2,4-difluorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(F)cc1F)ONc1ccccc1
InChIInChI=1S/C15H11F2NO2/c16-12-8-6-11(14(17)10-12)7-9-15(19)20-18-13-4-2-1-3-5-13/h1-10,18H/b9-7+
InChIKeyWULMBGFHEFQEKF-VQHVLOKHSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,4-difluorophenyl)prop-2-enoic acid
CID 5374945
1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one
CID 68697765
methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate
CID 53338930
(2E,4E)-5-(2,4-difluorophenyl)penta-2,4-dienoic acid
CID 116865813
(2-anilino-2-oxoethyl) (E)-3-(2-fluorophenyl)prop-2-enoate
CID 2613261
methyl (E)-3-(4-bromo-2-fluorophenyl)prop-2-enoate
CID 18989439
(E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 8761062
benzyl N-[3-(2,4-difluorophenyl)prop-2-enyl]carbamate
CID 169471158
1-[(E)-2-bromoethenyl]-2,4-difluorobenzene
CID 165468200
methyl (E)-4-(2,4-difluorophenyl)but-3-enoate
CID 165430996
2-[4-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)phenyl]acetic acid
CID 169479353
N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
CID 6909478

Frequently Asked Questions

What is the IUPAC name of anilino (E)-3-(2,4-difluorophenyl)prop-2-enoate?
The IUPAC name of anilino (E)-3-(2,4-difluorophenyl)prop-2-enoate (CID 23333874) is anilino (E)-3-(2,4-difluorophenyl)prop-2-enoate.
What is the SMILES notation for anilino (E)-3-(2,4-difluorophenyl)prop-2-enoate?
The canonical SMILES for anilino (E)-3-(2,4-difluorophenyl)prop-2-enoate is O=C(/C=C/c1ccc(F)cc1F)ONc1ccccc1.
What is the InChIKey of anilino (E)-3-(2,4-difluorophenyl)prop-2-enoate?
The InChIKey is WULMBGFHEFQEKF-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H11F2NO2/c16-12-8-6-11(14(17)10-12)7-9-15(19)20-18-13-4-2-1-3-5-13/h1-10,18H/b9-7+.
What are the key properties of anilino (E)-3-(2,4-difluorophenyl)prop-2-enoate?
anilino (E)-3-(2,4-difluorophenyl)prop-2-enoate has a molecular weight of 275.25 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anilino (E)-3-(2,4-difluorophenyl)prop-2-enoate is sourced from PubChem (CID 23333874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).