3-fluoro-N-[(Z)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide

C22H19FN2O3 — CID 5431715

IUPAC3-fluoro-N-[(Z)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2cccc(F)c2)cc1COc1ccccc1
InChIInChI=1S/C22H19FN2O3/c1-27-21-11-10-16(12-18(21)15-28-20-8-3-2-4-9-20)14-24-25-22(26)17-6-5-7-19(23)13-17/h2-14H,15H2,1H3,(H,25,26)/b24-14-
InChIKeyJAOZBKDGBXPXRA-OYKKKHCWSA-N
MW378.40 g/mol
LogP4.18
Rot. Bonds7

About 3-fluoro-N-[(Z)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide

3-fluoro-N-[(Z)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide (PubChem CID 5431715) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 3-fluoro-N-[(Z)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(Z)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide
PubChem CID5431715
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name3-fluoro-N-[(Z)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2cccc(F)c2)cc1COc1ccccc1
InChIInChI=1S/C22H19FN2O3/c1-27-21-11-10-16(12-18(21)15-28-20-8-3-2-4-9-20)14-24-25-22(26)17-6-5-7-19(23)13-17/h2-14H,15H2,1H3,(H,25,26)/b24-14-
InChIKeyJAOZBKDGBXPXRA-OYKKKHCWSA-N
XLogP4.18
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Benzoic (2-methoxybenzylidene)hydrazide
CID 9554484
N'-(4-(Benzyloxy)benzylidene)-4-hydroxybenzohydrazide
CID 6900270
N'-[(E)-(4-methoxyphenyl)methylidene]benzohydrazide
CID 6861535
4-(benzyloxy)-N'-[(E)-phenylmethylidene]benzohydrazide
CID 9598505
4-Methoxybenzoic benzylidenehydrazide
CID 9562118
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenoxybenzamide
CID 44263380
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide
CID 2401210
(2E)-2-[(3-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 5977173
{2-[(Z)-{2-[(4-fluorophenyl)carbonyl]hydrazinylidene}methyl]phenoxy}acetic acid
CID 6904640
2-Fluoro-benzoic acid (2-methoxy-naphthalen-1-ylmethylene)-hydrazide
CID 6907975
Benzoic acid 2-[(4-methoxy-benzoyl)-hydrazonomethyl]-phenyl ester
CID 9558377
2-(benzyloxy)-N'-[2-(2-propynyloxy)benzylidene]benzohydrazide
CID 9609512

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(Z)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide?
The IUPAC name of 3-fluoro-N-[(Z)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide (CID 5431715) is 3-fluoro-N-[(Z)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 3-fluoro-N-[(Z)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide?
The canonical SMILES for 3-fluoro-N-[(Z)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide is COc1ccc(/C=N\NC(=O)c2cccc(F)c2)cc1COc1ccccc1.
What is the InChIKey of 3-fluoro-N-[(Z)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide?
The InChIKey is JAOZBKDGBXPXRA-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-27-21-11-10-16(12-18(21)15-28-20-8-3-2-4-9-20)14-24-25-22(26)17-6-5-7-19(23)13-17/h2-14H,15H2,1H3,(H,25,26)/b24-14-.
What are the key properties of 3-fluoro-N-[(Z)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide?
3-fluoro-N-[(Z)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide has a molecular weight of 378.40 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(Z)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 5431715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).