N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide

C16H14F2N2O2 — CID 6874469

IUPACN-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14F2N2O2/c17-16(18)22-14-8-6-13(7-9-14)11-19-20-15(21)10-12-4-2-1-3-5-12/h1-9,11,16H,10H2,(H,20,21)/b19-11+
InChIKeyWAJGYMZUESUUOS-YBFXNURJSA-N
MW304.30 g/mol
LogP2.98
Rot. Bonds6

About N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide

N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide (PubChem CID 6874469) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide
PubChem CID6874469
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC NameN-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14F2N2O2/c17-16(18)22-14-8-6-13(7-9-14)11-19-20-15(21)10-12-4-2-1-3-5-12/h1-9,11,16H,10H2,(H,20,21)/b19-11+
InChIKeyWAJGYMZUESUUOS-YBFXNURJSA-N
XLogP2.98
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.98
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

N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide
CID 6899001
2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 956205
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 7994493
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 5000162
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3964614
2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 110515550
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-2-phenylacetamide
CID 6001372
[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3965877
2-(4-tert-butylphenoxy)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]acetamide
CID 6141982
2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 171157296
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide (CID 6874469) is N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C/c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide?
The InChIKey is WAJGYMZUESUUOS-YBFXNURJSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c17-16(18)22-14-8-6-13(7-9-14)11-19-20-15(21)10-12-4-2-1-3-5-12/h1-9,11,16H,10H2,(H,20,21)/b19-11+.
What are the key properties of N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide?
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide has a molecular weight of 304.30 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 6874469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).