N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide

C20H23FN2O3 — CID 8979784

IUPACN-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(OCCC(C)C)cc2)cc1F
InChIInChI=1S/C20H23FN2O3/c1-14(2)10-11-26-17-7-5-16(6-8-17)20(24)23-22-13-15-4-9-19(25-3)18(21)12-15/h4-9,12-14H,10-11H2,1-3H3,(H,23,24)/b22-13-
InChIKeyUHTWAVGSVMYAGY-XKZIYDEJSA-N
MW358.41 g/mol
LogP4.02
Rot. Bonds8

About N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide

N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide (PubChem CID 8979784) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
PubChem CID8979784
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(OCCC(C)C)cc2)cc1F
InChIInChI=1S/C20H23FN2O3/c1-14(2)10-11-26-17-7-5-16(6-8-17)20(24)23-22-13-15-4-9-19(25-3)18(21)12-15/h4-9,12-14H,10-11H2,1-3H3,(H,23,24)/b22-13-
InChIKeyUHTWAVGSVMYAGY-XKZIYDEJSA-N
XLogP4.02
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 54.02
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

N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 8981647
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 6390033
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 8979924
4-(3-methylbutoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 4927366
N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927381
4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4927373
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658847
N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 9215886
3,4,5-triethoxy-N-[(E)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]benzamide
CID 16556056
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide
CID 9215847
4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide
CID 2329144
[[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]urea
CID 2588719

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide (CID 8979784) is N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide is COc1ccc(/C=N\NC(=O)c2ccc(OCCC(C)C)cc2)cc1F.
What is the InChIKey of N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide?
The InChIKey is UHTWAVGSVMYAGY-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-14(2)10-11-26-17-7-5-16(6-8-17)20(24)23-22-13-15-4-9-19(25-3)18(21)12-15/h4-9,12-14H,10-11H2,1-3H3,(H,23,24)/b22-13-.
What are the key properties of N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide?
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide has a molecular weight of 358.41 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 8979784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).