(E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide

C21H16FNO2 — CID 7914871

IUPAC(E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H16FNO2/c22-20-9-5-4-6-16(20)10-15-21(24)23-17-11-13-19(14-12-17)25-18-7-2-1-3-8-18/h1-15H,(H,23,24)/b15-10+
InChIKeyXTMOGIHIPBFDNF-XNTDXEJSSA-N
MW333.36 g/mol
LogP5.27
Rot. Bonds5

About (E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide

(E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide (PubChem CID 7914871) has the molecular formula C21H16FNO2 and a molecular weight of 333.36 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
PubChem CID7914871
Molecular FormulaC21H16FNO2
Molecular Weight333.36 g/mol
Exact Mass333.12
IUPAC Name(E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H16FNO2/c22-20-9-5-4-6-16(20)10-15-21(24)23-17-11-13-19(14-12-17)25-18-7-2-1-3-8-18/h1-15H,(H,23,24)/b15-10+
InChIKeyXTMOGIHIPBFDNF-XNTDXEJSSA-N
XLogP5.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.36
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide
CID 7925007
N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 3454978
(E)-3-(2-chlorophenyl)-N-[4-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 6242476
(E)-3-(2-fluorophenyl)-N-naphthalen-2-ylprop-2-enamide
CID 8762219
(E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 26289833
3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 892966
(E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 898659
(E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 8761062
(E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide
CID 122303106
(E)-3-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 30857317
methyl 2-[[4-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]benzoyl]amino]acetate
CID 51213111
(E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 8713833

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide (CID 7914871) is (E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide is O=C(/C=C/c1ccccc1F)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide?
The InChIKey is XTMOGIHIPBFDNF-XNTDXEJSSA-N. The full InChI is InChI=1S/C21H16FNO2/c22-20-9-5-4-6-16(20)10-15-21(24)23-17-11-13-19(14-12-17)25-18-7-2-1-3-8-18/h1-15H,(H,23,24)/b15-10+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide?
(E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide has a molecular weight of 333.36 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 7914871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).