N,N'-bis(3-bromophenyl)methanimidamide

C13H10Br2N2 — CID 525806

IUPACN,N'-bis(3-bromophenyl)methanimidamide
SMILESBrc1cccc(/N=C/Nc2cccc(Br)c2)c1
InChIInChI=1S/C13H10Br2N2/c14-10-3-1-5-12(7-10)16-9-17-13-6-2-4-11(15)8-13/h1-9H,(H,16,17)
InChIKeyODTDHHSGYOOYKK-UHFFFAOYSA-N
MW354.05 g/mol
LogP4.98
Rot. Bonds3

About N,N'-bis(3-bromophenyl)methanimidamide

N,N'-bis(3-bromophenyl)methanimidamide (PubChem CID 525806) has the molecular formula C13H10Br2N2 and a molecular weight of 354.05 g/mol. Its IUPAC name is N,N'-bis(3-bromophenyl)methanimidamide.

Molecular Properties

Compound NameN,N'-bis(3-bromophenyl)methanimidamide
PubChem CID525806
Molecular FormulaC13H10Br2N2
Molecular Weight354.05 g/mol
Exact Mass351.92
IUPAC NameN,N'-bis(3-bromophenyl)methanimidamide
SMILESBrc1cccc(/N=C/Nc2cccc(Br)c2)c1
InChIInChI=1S/C13H10Br2N2/c14-10-3-1-5-12(7-10)16-9-17-13-6-2-4-11(15)8-13/h1-9H,(H,16,17)
InChIKeyODTDHHSGYOOYKK-UHFFFAOYSA-N
XLogP4.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.05
LogP ≤ 54.98
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-(3-bromophenyl)-N'-(3-ethoxyphenyl)methanimidamide
CID 525791
N-(3-bromophenyl)-1-(4-bromophenyl)methanimine
CID 525653
1,2-bis(3-bromophenyl)guanidine
CID 46189840
N-(3-bromophenyl)-1-piperidin-1-ylmethanimine
CID 523894
4-[(3-bromophenyl)iminomethyl]phenol
CID 868394
(Z)-3-(3-bromoanilino)-2-chloroprop-2-enal
CID 134105705
(2Z)-N-(3-bromophenyl)-2-hydroxyiminoacetamide
CID 6401110
3-bromo-N-phenylaniline
CID 14958606
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
5-[(3-bromoanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 17252219
1,3-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 54590075
trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)cyclohexane-1,2-diamine
CID 12024701

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-bromophenyl)methanimidamide?
The IUPAC name of N,N'-bis(3-bromophenyl)methanimidamide (CID 525806) is N,N'-bis(3-bromophenyl)methanimidamide.
What is the SMILES notation for N,N'-bis(3-bromophenyl)methanimidamide?
The canonical SMILES for N,N'-bis(3-bromophenyl)methanimidamide is Brc1cccc(/N=C/Nc2cccc(Br)c2)c1.
What is the InChIKey of N,N'-bis(3-bromophenyl)methanimidamide?
The InChIKey is ODTDHHSGYOOYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2/c14-10-3-1-5-12(7-10)16-9-17-13-6-2-4-11(15)8-13/h1-9H,(H,16,17).
What are the key properties of N,N'-bis(3-bromophenyl)methanimidamide?
N,N'-bis(3-bromophenyl)methanimidamide has a molecular weight of 354.05 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-bromophenyl)methanimidamide is sourced from PubChem (CID 525806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).