N'-(4-acetylphenyl)-2-methylbenzenecarboximidamide

C16H16N2O — CID 102311054

IUPACN'-(4-acetylphenyl)-2-methylbenzenecarboximidamide
SMILESCC(=O)c1ccc(/N=C(\N)c2ccccc2C)cc1
InChIInChI=1S/C16H16N2O/c1-11-5-3-4-6-15(11)16(17)18-14-9-7-13(8-10-14)12(2)19/h3-10H,1-2H3,(H2,17,18)
InChIKeyJVAZXGGWRZCFDB-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.23
Rot. Bonds3

About N'-(4-acetylphenyl)-2-methylbenzenecarboximidamide

N'-(4-acetylphenyl)-2-methylbenzenecarboximidamide (PubChem CID 102311054) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-(4-acetylphenyl)-2-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-acetylphenyl)-2-methylbenzenecarboximidamide
PubChem CID102311054
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN'-(4-acetylphenyl)-2-methylbenzenecarboximidamide
SMILESCC(=O)c1ccc(/N=C(\N)c2ccccc2C)cc1
InChIInChI=1S/C16H16N2O/c1-11-5-3-4-6-15(11)16(17)18-14-9-7-13(8-10-14)12(2)19/h3-10H,1-2H3,(H2,17,18)
InChIKeyJVAZXGGWRZCFDB-UHFFFAOYSA-N
XLogP3.23
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[amino-(2-methylphenyl)methylidene]acetamide
CID 153172405
1-(2-methylphenyl)ethanone;1-phenylethanone
CID 160893925
N'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide
CID 145320912
ethane;1-(2-methylphenyl)ethanone
CID 91374073
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
2-methylbenzamide;molecular hydrogen
CID 177161283
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
[(E)-[amino-(2-methylphenyl)methylidene]amino] 3,4-dimethoxybenzoate
CID 6106202
2-[4-(2-acetylphenyl)phenyl]-N'-(4-chlorophenyl)prop-2-enimidamide
CID 174500581
1-[4-(1-aminoethenyl)phenyl]ethanone;ethane;2-methylbenzenethiol
CID 176677721
[(Z)-1-(2-methylphenyl)ethylideneamino] acetate
CID 118122967

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetylphenyl)-2-methylbenzenecarboximidamide?
The IUPAC name of N'-(4-acetylphenyl)-2-methylbenzenecarboximidamide (CID 102311054) is N'-(4-acetylphenyl)-2-methylbenzenecarboximidamide.
What is the SMILES notation for N'-(4-acetylphenyl)-2-methylbenzenecarboximidamide?
The canonical SMILES for N'-(4-acetylphenyl)-2-methylbenzenecarboximidamide is CC(=O)c1ccc(/N=C(\N)c2ccccc2C)cc1.
What is the InChIKey of N'-(4-acetylphenyl)-2-methylbenzenecarboximidamide?
The InChIKey is JVAZXGGWRZCFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-5-3-4-6-15(11)16(17)18-14-9-7-13(8-10-14)12(2)19/h3-10H,1-2H3,(H2,17,18).
What are the key properties of N'-(4-acetylphenyl)-2-methylbenzenecarboximidamide?
N'-(4-acetylphenyl)-2-methylbenzenecarboximidamide has a molecular weight of 252.32 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetylphenyl)-2-methylbenzenecarboximidamide is sourced from PubChem (CID 102311054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).