N-(2-bromophenyl)-N'-(2,4-dimethylphenyl)benzenecarboximidamide

C21H19BrN2 — CID 102484487

IUPACN-(2-bromophenyl)-N'-(2,4-dimethylphenyl)benzenecarboximidamide
SMILESCc1ccc(/N=C(\Nc2ccccc2Br)c2ccccc2)c(C)c1
InChIInChI=1S/C21H19BrN2/c1-15-12-13-19(16(2)14-15)23-21(17-8-4-3-5-9-17)24-20-11-7-6-10-18(20)22/h3-14H,1-2H3,(H,23,24)
InChIKeyZVLSAJCFSFJJQE-UHFFFAOYSA-N
MW379.30 g/mol
LogP6.26
Rot. Bonds3

About N-(2-bromophenyl)-N'-(2,4-dimethylphenyl)benzenecarboximidamide

N-(2-bromophenyl)-N'-(2,4-dimethylphenyl)benzenecarboximidamide (PubChem CID 102484487) has the molecular formula C21H19BrN2 and a molecular weight of 379.30 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-(2,4-dimethylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-(2,4-dimethylphenyl)benzenecarboximidamide
PubChem CID102484487
Molecular FormulaC21H19BrN2
Molecular Weight379.30 g/mol
Exact Mass378.07
IUPAC NameN-(2-bromophenyl)-N'-(2,4-dimethylphenyl)benzenecarboximidamide
SMILESCc1ccc(/N=C(\Nc2ccccc2Br)c2ccccc2)c(C)c1
InChIInChI=1S/C21H19BrN2/c1-15-12-13-19(16(2)14-15)23-21(17-8-4-3-5-9-17)24-20-11-7-6-10-18(20)22/h3-14H,1-2H3,(H,23,24)
InChIKeyZVLSAJCFSFJJQE-UHFFFAOYSA-N
XLogP6.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.30
LogP ≤ 56.26
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'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide
CID 3332745
N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide
CID 4779287
N-(2-bromo-4-methylphenyl)benzenecarbothioamide
CID 102044328
N'-(2-bromophenyl)-N-(2,4-dimethylphenyl)propanediamide
CID 108953507
N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide
CID 108953594
N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079697
2-N-(2-bromophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141632
[chloro-[(E)-[(2,4-dimethylanilino)-phenylmethylidene]amino]methylidene]-dimethylazanium
CID 20704493
N-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512305
2-amino-N'-(2,4-dimethylphenyl)benzenecarboximidamide
CID 15889680
(2-bromophenyl)carbamic acid
CID 15021878
(2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 837584

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-(2,4-dimethylphenyl)benzenecarboximidamide?
The IUPAC name of N-(2-bromophenyl)-N'-(2,4-dimethylphenyl)benzenecarboximidamide (CID 102484487) is N-(2-bromophenyl)-N'-(2,4-dimethylphenyl)benzenecarboximidamide.
What is the SMILES notation for N-(2-bromophenyl)-N'-(2,4-dimethylphenyl)benzenecarboximidamide?
The canonical SMILES for N-(2-bromophenyl)-N'-(2,4-dimethylphenyl)benzenecarboximidamide is Cc1ccc(/N=C(\Nc2ccccc2Br)c2ccccc2)c(C)c1.
What is the InChIKey of N-(2-bromophenyl)-N'-(2,4-dimethylphenyl)benzenecarboximidamide?
The InChIKey is ZVLSAJCFSFJJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2/c1-15-12-13-19(16(2)14-15)23-21(17-8-4-3-5-9-17)24-20-11-7-6-10-18(20)22/h3-14H,1-2H3,(H,23,24).
What are the key properties of N-(2-bromophenyl)-N'-(2,4-dimethylphenyl)benzenecarboximidamide?
N-(2-bromophenyl)-N'-(2,4-dimethylphenyl)benzenecarboximidamide has a molecular weight of 379.30 g/mol, XLogP of 6.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-(2,4-dimethylphenyl)benzenecarboximidamide is sourced from PubChem (CID 102484487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).