actinium;N-[(E)-benzylideneamino]-N-[3,5-dichloro-4-(phenylmethyl)phenyl]acetamide;N-(methoxymethyl)formamide

C25H24AcCl2N3O3- — CID 172935791

IUPACactinium;N-[(E)-benzylideneamino]-N-[3,5-dichloro-4-(phenylmethyl)phenyl]acetamide;N-(methoxymethyl)formamide
SMILESCC(=O)N(/N=C/c1ccccc1)c1cc(Cl)c(Cc2cc[c-]cc2)c(Cl)c1.COCNC=O.[Ac]
InChIInChI=1S/C22H17Cl2N2O.C3H7NO2.Ac/c1-16(27)26(25-15-18-10-6-3-7-11-18)19-13-21(23)20(22(24)14-19)12-17-8-4-2-5-9-17;1-6-3-4-2-5;/h3-11,13-15H,12H2,1H3;2H,3H2,1H3,(H,4,5);/q-1;;/b25-15+;;
InChIKeyARAKBBAEXDYUFH-NHLDBBKOSA-N
MW712.39 g/mol
LogP5.11
Rot. Bonds8

About actinium;N-[(E)-benzylideneamino]-N-[3,5-dichloro-4-(phenylmethyl)phenyl]acetamide;N-(methoxymethyl)formamide

actinium;N-[(E)-benzylideneamino]-N-[3,5-dichloro-4-(phenylmethyl)phenyl]acetamide;N-(methoxymethyl)formamide (PubChem CID 172935791) has the molecular formula C25H24AcCl2N3O3- and a molecular weight of 712.39 g/mol. Its IUPAC name is actinium;N-[(E)-benzylideneamino]-N-[3,5-dichloro-4-(phenylmethyl)phenyl]acetamide;N-(methoxymethyl)formamide.

Molecular Properties

Compound Nameactinium;N-[(E)-benzylideneamino]-N-[3,5-dichloro-4-(phenylmethyl)phenyl]acetamide;N-(methoxymethyl)formamide
PubChem CID172935791
Molecular FormulaC25H24AcCl2N3O3-
Molecular Weight712.39 g/mol
Exact Mass711.15
IUPAC Nameactinium;N-[(E)-benzylideneamino]-N-[3,5-dichloro-4-(phenylmethyl)phenyl]acetamide;N-(methoxymethyl)formamide
SMILESCC(=O)N(/N=C/c1ccccc1)c1cc(Cl)c(Cc2cc[c-]cc2)c(Cl)c1.COCNC=O.[Ac]
InChIInChI=1S/C22H17Cl2N2O.C3H7NO2.Ac/c1-16(27)26(25-15-18-10-6-3-7-11-18)19-13-21(23)20(22(24)14-19)12-17-8-4-2-5-9-17;1-6-3-4-2-5;/h3-11,13-15H,12H2,1H3;2H,3H2,1H3,(H,4,5);/q-1;;/b25-15+;;
InChIKeyARAKBBAEXDYUFH-NHLDBBKOSA-N
XLogP5.11
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.39
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of actinium;N-[(E)-benzylideneamino]-N-[3,5-dichloro-4-(phenylmethyl)phenyl]acetamide;N-(methoxymethyl)formamide?
The IUPAC name of actinium;N-[(E)-benzylideneamino]-N-[3,5-dichloro-4-(phenylmethyl)phenyl]acetamide;N-(methoxymethyl)formamide (CID 172935791) is actinium;N-[(E)-benzylideneamino]-N-[3,5-dichloro-4-(phenylmethyl)phenyl]acetamide;N-(methoxymethyl)formamide.
What is the SMILES notation for actinium;N-[(E)-benzylideneamino]-N-[3,5-dichloro-4-(phenylmethyl)phenyl]acetamide;N-(methoxymethyl)formamide?
The canonical SMILES for actinium;N-[(E)-benzylideneamino]-N-[3,5-dichloro-4-(phenylmethyl)phenyl]acetamide;N-(methoxymethyl)formamide is CC(=O)N(/N=C/c1ccccc1)c1cc(Cl)c(Cc2cc[c-]cc2)c(Cl)c1.COCNC=O.[Ac].
What is the InChIKey of actinium;N-[(E)-benzylideneamino]-N-[3,5-dichloro-4-(phenylmethyl)phenyl]acetamide;N-(methoxymethyl)formamide?
The InChIKey is ARAKBBAEXDYUFH-NHLDBBKOSA-N. The full InChI is InChI=1S/C22H17Cl2N2O.C3H7NO2.Ac/c1-16(27)26(25-15-18-10-6-3-7-11-18)19-13-21(23)20(22(24)14-19)12-17-8-4-2-5-9-17;1-6-3-4-2-5;/h3-11,13-15H,12H2,1H3;2H,3H2,1H3,(H,4,5);/q-1;;/b25-15+;;.
What are the key properties of actinium;N-[(E)-benzylideneamino]-N-[3,5-dichloro-4-(phenylmethyl)phenyl]acetamide;N-(methoxymethyl)formamide?
actinium;N-[(E)-benzylideneamino]-N-[3,5-dichloro-4-(phenylmethyl)phenyl]acetamide;N-(methoxymethyl)formamide has a molecular weight of 712.39 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;N-[(E)-benzylideneamino]-N-[3,5-dichloro-4-(phenylmethyl)phenyl]acetamide;N-(methoxymethyl)formamide is sourced from PubChem (CID 172935791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).