N-(2-aminobenzene-4-id-1-yl)-2,3,4,5,6-pentamethylbenzamide;tungsten

C18H21N2OW- — CID 148785469

IUPACN-(2-aminobenzene-4-id-1-yl)-2,3,4,5,6-pentamethylbenzamide;tungsten
SMILESCc1c(C)c(C)c(C(=O)Nc2cc[c-]cc2N)c(C)c1C.[W]
InChIInChI=1S/C18H21N2O.W/c1-10-11(2)13(4)17(14(5)12(10)3)18(21)20-16-9-7-6-8-15(16)19;/h7-9H,19H2,1-5H3,(H,20,21);/q-1;
InChIKeySUJLXJQJLRXUSQ-UHFFFAOYSA-N
MW465.22 g/mol
LogP3.86
Rot. Bonds2

About N-(2-aminobenzene-4-id-1-yl)-2,3,4,5,6-pentamethylbenzamide;tungsten

N-(2-aminobenzene-4-id-1-yl)-2,3,4,5,6-pentamethylbenzamide;tungsten (PubChem CID 148785469) has the molecular formula C18H21N2OW- and a molecular weight of 465.22 g/mol. Its IUPAC name is N-(2-aminobenzene-4-id-1-yl)-2,3,4,5,6-pentamethylbenzamide;tungsten.

Molecular Properties

Compound NameN-(2-aminobenzene-4-id-1-yl)-2,3,4,5,6-pentamethylbenzamide;tungsten
PubChem CID148785469
Molecular FormulaC18H21N2OW-
Molecular Weight465.22 g/mol
Exact Mass465.12
IUPAC NameN-(2-aminobenzene-4-id-1-yl)-2,3,4,5,6-pentamethylbenzamide;tungsten
SMILESCc1c(C)c(C)c(C(=O)Nc2cc[c-]cc2N)c(C)c1C.[W]
InChIInChI=1S/C18H21N2O.W/c1-10-11(2)13(4)17(14(5)12(10)3)18(21)20-16-9-7-6-8-15(16)19;/h7-9H,19H2,1-5H3,(H,20,21);/q-1;
InChIKeySUJLXJQJLRXUSQ-UHFFFAOYSA-N
XLogP3.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.22
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 63660223
bis(2-methylbenzene-4-id-1-amine);yttrium
CID 58340340
N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
CID 104667512
1-(2-aminobenzene-5-id-1-yl)ethanone;yttrium(3+)
CID 54711351
N-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151872
N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide
CID 29008296
N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide
CID 103144635
N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide
CID 107999853
2-amino-N-(2-chlorophenyl)-6-methylbenzamide
CID 16785685
N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide
CID 2250223
N-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide
CID 107687648

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobenzene-4-id-1-yl)-2,3,4,5,6-pentamethylbenzamide;tungsten?
The IUPAC name of N-(2-aminobenzene-4-id-1-yl)-2,3,4,5,6-pentamethylbenzamide;tungsten (CID 148785469) is N-(2-aminobenzene-4-id-1-yl)-2,3,4,5,6-pentamethylbenzamide;tungsten.
What is the SMILES notation for N-(2-aminobenzene-4-id-1-yl)-2,3,4,5,6-pentamethylbenzamide;tungsten?
The canonical SMILES for N-(2-aminobenzene-4-id-1-yl)-2,3,4,5,6-pentamethylbenzamide;tungsten is Cc1c(C)c(C)c(C(=O)Nc2cc[c-]cc2N)c(C)c1C.[W].
What is the InChIKey of N-(2-aminobenzene-4-id-1-yl)-2,3,4,5,6-pentamethylbenzamide;tungsten?
The InChIKey is SUJLXJQJLRXUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N2O.W/c1-10-11(2)13(4)17(14(5)12(10)3)18(21)20-16-9-7-6-8-15(16)19;/h7-9H,19H2,1-5H3,(H,20,21);/q-1;.
What are the key properties of N-(2-aminobenzene-4-id-1-yl)-2,3,4,5,6-pentamethylbenzamide;tungsten?
N-(2-aminobenzene-4-id-1-yl)-2,3,4,5,6-pentamethylbenzamide;tungsten has a molecular weight of 465.22 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobenzene-4-id-1-yl)-2,3,4,5,6-pentamethylbenzamide;tungsten is sourced from PubChem (CID 148785469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).