N-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide

C21H16ClFN2O — CID 4980565

IUPACN-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(NN=Cc1c(F)cccc1Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16ClFN2O/c22-18-12-7-13-19(23)17(18)14-24-25-21(26)20(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,20H,(H,25,26)
InChIKeyCEZUQYZFICHKGX-UHFFFAOYSA-N
MW366.82 g/mol
LogP4.76
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide

N-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide (PubChem CID 4980565) has the molecular formula C21H16ClFN2O and a molecular weight of 366.82 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide
PubChem CID4980565
Molecular FormulaC21H16ClFN2O
Molecular Weight366.82 g/mol
Exact Mass366.09
IUPAC NameN-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(NN=Cc1c(F)cccc1Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16ClFN2O/c22-18-12-7-13-19(23)17(18)14-24-25-21(26)20(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,20H,(H,25,26)
InChIKeyCEZUQYZFICHKGX-UHFFFAOYSA-N
XLogP4.76
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 4166236
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
(2S)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(N-methylsulfonylanilino)propanamide
CID 7275439
(2S)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylpropanamide
CID 94837850
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-methylbutanamide
CID 4157167
N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847586
N'-[(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-ylpropanediamide
CID 3130667
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 94837776
cis-(1S,2R)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40573329
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-methylpropanamide
CID 14593053
4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
CID 5339119
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide
CID 6897306

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide (CID 4980565) is N-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide is O=C(NN=Cc1c(F)cccc1Cl)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide?
The InChIKey is CEZUQYZFICHKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O/c22-18-12-7-13-19(23)17(18)14-24-25-21(26)20(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,20H,(H,25,26).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide?
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide has a molecular weight of 366.82 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 4980565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).