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

C21H16FNO2 — CID 844863

IUPAC(E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H16FNO2/c22-17-13-10-16(11-14-17)12-15-21(24)23-19-8-4-5-9-20(19)25-18-6-2-1-3-7-18/h1-15H,(H,23,24)/b15-12+
InChIKeyCNJHGMKRPIYEIZ-NTCAYCPXSA-N
MW333.36 g/mol
LogP5.27
Rot. Bonds5

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

(E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide (PubChem CID 844863) has the molecular formula C21H16FNO2 and a molecular weight of 333.36 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
PubChem CID844863
Molecular FormulaC21H16FNO2
Molecular Weight333.36 g/mol
Exact Mass333.12
IUPAC Name(E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H16FNO2/c22-17-13-10-16(11-14-17)12-15-21(24)23-19-8-4-5-9-20(19)25-18-6-2-1-3-7-18/h1-15H,(H,23,24)/b15-12+
InChIKeyCNJHGMKRPIYEIZ-NTCAYCPXSA-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-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 1001546
3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 1001544
(E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 896961
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
4-[2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenoxy]benzoic acid
CID 174534966
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide
CID 75910605
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
4-[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]phenoxy]benzoic acid
CID 174548810
(E)-3-(furan-2-yl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 2668862
3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide
CID 4798657

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide (CID 844863) is (E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide?
The InChIKey is CNJHGMKRPIYEIZ-NTCAYCPXSA-N. The full InChI is InChI=1S/C21H16FNO2/c22-17-13-10-16(11-14-17)12-15-21(24)23-19-8-4-5-9-20(19)25-18-6-2-1-3-7-18/h1-15H,(H,23,24)/b15-12+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-(2-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-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 844863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).