N'-(4-bromophenyl)-N-(dimethylaminomethylidene)benzenecarboximidamide

C16H16BrN3 — CID 10969561

IUPACN'-(4-bromophenyl)-N-(dimethylaminomethylidene)benzenecarboximidamide
SMILESCN(C)/C=N/C(=N\c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H16BrN3/c1-20(2)12-18-16(13-6-4-3-5-7-13)19-15-10-8-14(17)9-11-15/h3-12H,1-2H3/b18-12+,19-16-
InChIKeyUJTUGVHWBOVJTR-UHIRCJBMSA-N
MW330.23 g/mol
LogP4.12
Rot. Bonds3

About N'-(4-bromophenyl)-N-(dimethylaminomethylidene)benzenecarboximidamide

N'-(4-bromophenyl)-N-(dimethylaminomethylidene)benzenecarboximidamide (PubChem CID 10969561) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is N'-(4-bromophenyl)-N-(dimethylaminomethylidene)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-N-(dimethylaminomethylidene)benzenecarboximidamide
PubChem CID10969561
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC NameN'-(4-bromophenyl)-N-(dimethylaminomethylidene)benzenecarboximidamide
SMILESCN(C)/C=N/C(=N\c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H16BrN3/c1-20(2)12-18-16(13-6-4-3-5-7-13)19-15-10-8-14(17)9-11-15/h3-12H,1-2H3/b18-12+,19-16-
InChIKeyUJTUGVHWBOVJTR-UHIRCJBMSA-N
XLogP4.12
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.12
H-Bond Donors ≤ 50
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-(dimethylaminomethylidene)-N'-(4-methylphenyl)benzenecarboximidamide
CID 10912424
N-(dimethylaminomethylidene)-4-fluoro-N'-(4-methylphenyl)benzenecarboximidamide
CID 13111313
methyl (NE)-N-[(dimethylaminomethylideneamino)-phenylmethylidene]carbamate
CID 10752103
N-(dimethylaminomethylidene)benzamide;ethane
CID 90754594
1-bromo-4-[(Z)-1-phenylprop-1-enyl]benzene
CID 71096941
phenyl N-(4-bromophenyl)benzenecarboximidothioate
CID 621069
N'-(4-bromophenyl)-N,N-bis(4-hydroxyphenyl)benzenecarboximidamide
CID 3360452
N-(1,3-dithiolan-2-ylidene)-N'-(4-methylphenyl)benzenecarboximidamide
CID 56693253
bromobenzene;N,N-dimethylformamide
CID 88804886
N-(dimethylaminomethylidene)azulene-2-carboxamide
CID 141302363
1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine
CID 145462827
N-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide
CID 123171228

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-N-(dimethylaminomethylidene)benzenecarboximidamide?
The IUPAC name of N'-(4-bromophenyl)-N-(dimethylaminomethylidene)benzenecarboximidamide (CID 10969561) is N'-(4-bromophenyl)-N-(dimethylaminomethylidene)benzenecarboximidamide.
What is the SMILES notation for N'-(4-bromophenyl)-N-(dimethylaminomethylidene)benzenecarboximidamide?
The canonical SMILES for N'-(4-bromophenyl)-N-(dimethylaminomethylidene)benzenecarboximidamide is CN(C)/C=N/C(=N\c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of N'-(4-bromophenyl)-N-(dimethylaminomethylidene)benzenecarboximidamide?
The InChIKey is UJTUGVHWBOVJTR-UHIRCJBMSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-20(2)12-18-16(13-6-4-3-5-7-13)19-15-10-8-14(17)9-11-15/h3-12H,1-2H3/b18-12+,19-16-.
What are the key properties of N'-(4-bromophenyl)-N-(dimethylaminomethylidene)benzenecarboximidamide?
N'-(4-bromophenyl)-N-(dimethylaminomethylidene)benzenecarboximidamide has a molecular weight of 330.23 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-N-(dimethylaminomethylidene)benzenecarboximidamide is sourced from PubChem (CID 10969561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).