2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide

C22H18F2N2O2 — CID 126248647

IUPAC2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
SMILESO=C(Cc1ccc(F)cc1)N/N=C/c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C22H18F2N2O2/c23-19-9-5-16(6-10-19)13-22(27)26-25-14-17-7-11-20(12-8-17)28-15-18-3-1-2-4-21(18)24/h1-12,14H,13,15H2,(H,26,27)/b25-14+
InChIKeyNTYIEWWQJCNCQP-AFUMVMLFSA-N
MW380.39 g/mol
LogP4.24
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide

2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide (PubChem CID 126248647) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
PubChem CID126248647
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC Name2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
SMILESO=C(Cc1ccc(F)cc1)N/N=C/c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C22H18F2N2O2/c23-19-9-5-16(6-10-19)13-22(27)26-25-14-17-7-11-20(12-8-17)28-15-18-3-1-2-4-21(18)24/h1-12,14H,13,15H2,(H,26,27)/b25-14+
InChIKeyNTYIEWWQJCNCQP-AFUMVMLFSA-N
XLogP4.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
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'}

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Related Compounds

[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 6872564
4-[[4-[(E)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126242674
N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide
CID 6899001
2-(4-fluorophenyl)-N-[(E)-[1-[4-[(2-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 126253066
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 5349866
N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126236043
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657831
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095
N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 8930542
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4675447
N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 97262973

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide (CID 126248647) is 2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide is O=C(Cc1ccc(F)cc1)N/N=C/c1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide?
The InChIKey is NTYIEWWQJCNCQP-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c23-19-9-5-16(6-10-19)13-22(27)26-25-14-17-7-11-20(12-8-17)28-15-18-3-1-2-4-21(18)24/h1-12,14H,13,15H2,(H,26,27)/b25-14+.
What are the key properties of 2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide?
2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide has a molecular weight of 380.39 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 126248647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).