(2S)-2-(4-cyanophenoxy)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]propanamide

C21H16FN3O3 — CID 9152541

IUPAC(2S)-2-(4-cyanophenoxy)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]propanamide
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)N/N=C\c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C21H16FN3O3/c1-14(27-16-8-6-15(12-23)7-9-16)21(26)25-24-13-17-10-11-20(28-17)18-4-2-3-5-19(18)22/h2-11,13-14H,1H3,(H,25,26)/b24-13-/t14-/m0/s1
InChIKeyNVHDEKHEGANTAE-ARCFYCQJSA-N
MW377.38 g/mol
LogP3.87
Rot. Bonds6

About (2S)-2-(4-cyanophenoxy)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]propanamide

(2S)-2-(4-cyanophenoxy)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]propanamide (PubChem CID 9152541) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is (2S)-2-(4-cyanophenoxy)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-cyanophenoxy)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]propanamide
PubChem CID9152541
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name(2S)-2-(4-cyanophenoxy)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]propanamide
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)N/N=C\c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C21H16FN3O3/c1-14(27-16-8-6-15(12-23)7-9-16)21(26)25-24-13-17-10-11-20(28-17)18-4-2-3-5-19(18)22/h2-11,13-14H,1H3,(H,25,26)/b24-13-/t14-/m0/s1
InChIKeyNVHDEKHEGANTAE-ARCFYCQJSA-N
XLogP3.87
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-cyanophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide
CID 129421420
2-(4-cyanophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide
CID 18231327
2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide
CID 3670228
2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51158907
(2R)-2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide
CID 5433222
2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide
CID 6265900
2-(2,6-dimethylphenoxy)-N-[(E)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]acetamide
CID 6888998
(E)-N'-[2-(4-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 9140747
2-(4-cyanophenoxy)-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]propanamide
CID 18206759
N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-2-(4-cyanophenoxy)propanamide
CID 42996884
N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide
CID 126020827
(2R)-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(2-methylphenoxy)propanamide
CID 7275614

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyanophenoxy)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]propanamide?
The IUPAC name of (2S)-2-(4-cyanophenoxy)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]propanamide (CID 9152541) is (2S)-2-(4-cyanophenoxy)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]propanamide.
What is the SMILES notation for (2S)-2-(4-cyanophenoxy)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]propanamide?
The canonical SMILES for (2S)-2-(4-cyanophenoxy)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]propanamide is C[C@H](Oc1ccc(C#N)cc1)C(=O)N/N=C\c1ccc(-c2ccccc2F)o1.
What is the InChIKey of (2S)-2-(4-cyanophenoxy)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]propanamide?
The InChIKey is NVHDEKHEGANTAE-ARCFYCQJSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-14(27-16-8-6-15(12-23)7-9-16)21(26)25-24-13-17-10-11-20(28-17)18-4-2-3-5-19(18)22/h2-11,13-14H,1H3,(H,25,26)/b24-13-/t14-/m0/s1.
What are the key properties of (2S)-2-(4-cyanophenoxy)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]propanamide?
(2S)-2-(4-cyanophenoxy)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]propanamide has a molecular weight of 377.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyanophenoxy)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]propanamide is sourced from PubChem (CID 9152541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).