2-cyano-3-(3-phenoxyphenyl)prop-2-enamide

C16H12N2O2 — CID 3559677

IUPAC2-cyano-3-(3-phenoxyphenyl)prop-2-enamide
SMILESN#CC(=Cc1cccc(Oc2ccccc2)c1)C(N)=O
InChIInChI=1S/C16H12N2O2/c17-11-13(16(18)19)9-12-5-4-8-15(10-12)20-14-6-2-1-3-7-14/h1-10H,(H2,18,19)
InChIKeySJOFTAHNDSJAQA-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.87
Rot. Bonds4

About 2-cyano-3-(3-phenoxyphenyl)prop-2-enamide

2-cyano-3-(3-phenoxyphenyl)prop-2-enamide (PubChem CID 3559677) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-cyano-3-(3-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(3-phenoxyphenyl)prop-2-enamide
PubChem CID3559677
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name2-cyano-3-(3-phenoxyphenyl)prop-2-enamide
SMILESN#CC(=Cc1cccc(Oc2ccccc2)c1)C(N)=O
InChIInChI=1S/C16H12N2O2/c17-11-13(16(18)19)9-12-5-4-8-15(10-12)20-14-6-2-1-3-7-14/h1-10H,(H2,18,19)
InChIKeySJOFTAHNDSJAQA-UHFFFAOYSA-N
XLogP2.87
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-benzoyl-3-(3-phenoxyphenyl)prop-2-enenitrile
CID 110191204
(E)-2-cyano-3-[3-(3,4-dichlorophenoxy)phenyl]prop-2-enamide
CID 155552183
(Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
CID 2057524
2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide
CID 2853976
(E)-2-(furan-2-carbonyl)-3-(3-phenoxyphenyl)prop-2-enenitrile
CID 9335436
4-[[(Z)-2-cyano-3-(3-phenoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 1280016
(Z)-2-cyano-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)prop-2-enamide
CID 124656696
(Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide
CID 56803777
(Z)-2-cyano-N-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide
CID 94841572
2-cyano-3-(3-methylphenyl)prop-2-enamide
CID 3601300
(E)-2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)-3-(3-phenoxyphenyl)prop-2-enenitrile
CID 9334578
(Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 44665646

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(3-phenoxyphenyl)prop-2-enamide?
The IUPAC name of 2-cyano-3-(3-phenoxyphenyl)prop-2-enamide (CID 3559677) is 2-cyano-3-(3-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-(3-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-(3-phenoxyphenyl)prop-2-enamide is N#CC(=Cc1cccc(Oc2ccccc2)c1)C(N)=O.
What is the InChIKey of 2-cyano-3-(3-phenoxyphenyl)prop-2-enamide?
The InChIKey is SJOFTAHNDSJAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c17-11-13(16(18)19)9-12-5-4-8-15(10-12)20-14-6-2-1-3-7-14/h1-10H,(H2,18,19).
What are the key properties of 2-cyano-3-(3-phenoxyphenyl)prop-2-enamide?
2-cyano-3-(3-phenoxyphenyl)prop-2-enamide has a molecular weight of 264.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(3-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 3559677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).