(Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide

C17H13FN2O2 — CID 44665646

IUPAC(Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
SMILESN#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)C(N)=O
InChIInChI=1S/C17H13FN2O2/c18-15-6-4-12(5-7-15)11-22-16-3-1-2-13(9-16)8-14(10-19)17(20)21/h1-9H,11H2,(H2,20,21)/b14-8-
InChIKeyKWLJYWOTASGIBC-ZSOIEALJSA-N
MW296.30 g/mol
LogP2.80
Rot. Bonds5

About (Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide

(Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide (PubChem CID 44665646) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is (Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
PubChem CID44665646
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name(Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
SMILESN#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)C(N)=O
InChIInChI=1S/C17H13FN2O2/c18-15-6-4-12(5-7-15)11-22-16-3-1-2-13(9-16)8-14(10-19)17(20)21/h1-9H,11H2,(H2,20,21)/b14-8-
InChIKeyKWLJYWOTASGIBC-ZSOIEALJSA-N
XLogP2.80
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.80
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

2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide
CID 2853976
2-[[(E)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoate
CID 7320807
(Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide
CID 56803777
2-cyano-3-[2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 4288753
methyl (E)-2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enoate
CID 902994
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
(Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
CID 2057524
2-methoxyethyl (E)-2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enoate
CID 2623270
2-cyano-3-(3-phenoxyphenyl)prop-2-enamide
CID 3559677
(E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42201925
(E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl chloride
CID 91685524
(E)-2-cyano-N-(1-phenylethyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide
CID 6087867

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide (CID 44665646) is (Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide is N#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)C(N)=O.
What is the InChIKey of (Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide?
The InChIKey is KWLJYWOTASGIBC-ZSOIEALJSA-N. The full InChI is InChI=1S/C17H13FN2O2/c18-15-6-4-12(5-7-15)11-22-16-3-1-2-13(9-16)8-14(10-19)17(20)21/h1-9H,11H2,(H2,20,21)/b14-8-.
What are the key properties of (Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide?
(Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide has a molecular weight of 296.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 44665646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).