4-bromo-N'-methyl-N-(4-methylphenyl)benzenecarboximidamide

C15H15BrN2 — CID 3326849

IUPAC4-bromo-N'-methyl-N-(4-methylphenyl)benzenecarboximidamide
SMILESC/N=C(/Nc1ccc(C)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2/c1-11-3-9-14(10-4-11)18-15(17-2)12-5-7-13(16)8-6-12/h3-10H,1-2H3,(H,17,18)
InChIKeyDRANQWKRWQAZDO-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.25
Rot. Bonds2

About 4-bromo-N'-methyl-N-(4-methylphenyl)benzenecarboximidamide

4-bromo-N'-methyl-N-(4-methylphenyl)benzenecarboximidamide (PubChem CID 3326849) has the molecular formula C15H15BrN2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 4-bromo-N'-methyl-N-(4-methylphenyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-N'-methyl-N-(4-methylphenyl)benzenecarboximidamide
PubChem CID3326849
Molecular FormulaC15H15BrN2
Molecular Weight303.20 g/mol
Exact Mass302.04
IUPAC Name4-bromo-N'-methyl-N-(4-methylphenyl)benzenecarboximidamide
SMILESC/N=C(/Nc1ccc(C)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2/c1-11-3-9-14(10-4-11)18-15(17-2)12-5-7-13(16)8-6-12/h3-10H,1-2H3,(H,17,18)
InChIKeyDRANQWKRWQAZDO-UHFFFAOYSA-N
XLogP4.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-N',4-dimethylbenzenecarboximidamide
CID 61360444
(Z)-4-(4-bromophenyl)-2-(4-methylanilino)-4-oxobut-2-enoic acid
CID 7256449
(Z)-1,4-bis(4-bromophenyl)-2-(4-methylanilino)but-2-ene-1,4-dione
CID 11237338
N'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide
CID 9179762
N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide
CID 4779287
1-bromo-4-methylbenzene;trihydrofluoride
CID 172815118
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 126133104
1-(4-bromophenyl)-3-[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]thiourea
CID 2873060
N-di(propan-2-yl)phosphanyl-N',4-dimethylbenzenecarboximidamide
CID 67297899
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide
CID 124626154
1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea
CID 108869298

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-methyl-N-(4-methylphenyl)benzenecarboximidamide?
The IUPAC name of 4-bromo-N'-methyl-N-(4-methylphenyl)benzenecarboximidamide (CID 3326849) is 4-bromo-N'-methyl-N-(4-methylphenyl)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-N'-methyl-N-(4-methylphenyl)benzenecarboximidamide?
The canonical SMILES for 4-bromo-N'-methyl-N-(4-methylphenyl)benzenecarboximidamide is C/N=C(/Nc1ccc(C)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-methyl-N-(4-methylphenyl)benzenecarboximidamide?
The InChIKey is DRANQWKRWQAZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2/c1-11-3-9-14(10-4-11)18-15(17-2)12-5-7-13(16)8-6-12/h3-10H,1-2H3,(H,17,18).
What are the key properties of 4-bromo-N'-methyl-N-(4-methylphenyl)benzenecarboximidamide?
4-bromo-N'-methyl-N-(4-methylphenyl)benzenecarboximidamide has a molecular weight of 303.20 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-methyl-N-(4-methylphenyl)benzenecarboximidamide is sourced from PubChem (CID 3326849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).