N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-fluoroanilino)acetamide

C23H18FN3O — CID 94836370

IUPACN-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)cc1)N/N=C\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C23H18FN3O/c24-18-9-11-19(12-10-18)25-15-23(28)27-26-14-22-20-7-3-1-5-16(20)13-17-6-2-4-8-21(17)22/h1-14,25H,15H2,(H,27,28)/b26-14-
InChIKeyNZFKZGQBXIODMX-WGARJPEWSA-N
MW371.42 g/mol
LogP4.69
Rot. Bonds5

About N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-fluoroanilino)acetamide

N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-fluoroanilino)acetamide (PubChem CID 94836370) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-fluoroanilino)acetamide
PubChem CID94836370
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC NameN-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)cc1)N/N=C\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C23H18FN3O/c24-18-9-11-19(12-10-18)25-15-23(28)27-26-14-22-20-7-3-1-5-16(20)13-17-6-2-4-8-21(17)22/h1-14,25H,15H2,(H,27,28)/b26-14-
InChIKeyNZFKZGQBXIODMX-WGARJPEWSA-N
XLogP4.69
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluoroanilino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135745098
2-(4-bromoanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 136663445
2-(4-fluoroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126357905
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 6132034
N-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide
CID 4142604
2-(4-fluoroanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5416866
2-(4-fluoroanilino)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide
CID 126361431
N-(4-fluorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]butanediamide
CID 135562382
N-(anthracen-9-ylmethylideneamino)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 2041756
2-(3-chloroanilino)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 4616989
2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5404241
2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 126366968

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-fluoroanilino)acetamide?
The IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-fluoroanilino)acetamide (CID 94836370) is N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-fluoroanilino)acetamide.
What is the SMILES notation for N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-fluoroanilino)acetamide?
The canonical SMILES for N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-fluoroanilino)acetamide is O=C(CNc1ccc(F)cc1)N/N=C\c1c2ccccc2cc2ccccc12.
What is the InChIKey of N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-fluoroanilino)acetamide?
The InChIKey is NZFKZGQBXIODMX-WGARJPEWSA-N. The full InChI is InChI=1S/C23H18FN3O/c24-18-9-11-19(12-10-18)25-15-23(28)27-26-14-22-20-7-3-1-5-16(20)13-17-6-2-4-8-21(17)22/h1-14,25H,15H2,(H,27,28)/b26-14-.
What are the key properties of N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-fluoroanilino)acetamide?
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-fluoroanilino)acetamide has a molecular weight of 371.42 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-fluoroanilino)acetamide is sourced from PubChem (CID 94836370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).