1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine

C13H8Br2N2O2 — CID 4180599

IUPAC1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine
SMILESO=[N+]([O-])c1cc(/C=N/c2ccc(Br)cc2)ccc1Br
InChIInChI=1S/C13H8Br2N2O2/c14-10-2-4-11(5-3-10)16-8-9-1-6-12(15)13(7-9)17(18)19/h1-8H/b16-8+
InChIKeyYDWXNUDWSXGNKI-LZYBPNLTSA-N
MW384.03 g/mol
LogP4.87
Rot. Bonds3

About 1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine

1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine (PubChem CID 4180599) has the molecular formula C13H8Br2N2O2 and a molecular weight of 384.03 g/mol. Its IUPAC name is 1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine.

Molecular Properties

Compound Name1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine
PubChem CID4180599
Molecular FormulaC13H8Br2N2O2
Molecular Weight384.03 g/mol
Exact Mass381.90
IUPAC Name1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine
SMILESO=[N+]([O-])c1cc(/C=N/c2ccc(Br)cc2)ccc1Br
InChIInChI=1S/C13H8Br2N2O2/c14-10-2-4-11(5-3-10)16-8-9-1-6-12(15)13(7-9)17(18)19/h1-8H/b16-8+
InChIKeyYDWXNUDWSXGNKI-LZYBPNLTSA-N
XLogP4.87
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.03
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]acetamide
CID 3598154
(E)-3-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]prop-2-enoic acid
CID 1381191
1-(4-bromo-3-nitrophenyl)-N-[2-(4-bromophenyl)-1,3-benzoxazol-6-yl]methanimine
CID 3538570
N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine
CID 126077274
4-bromo-3-nitrobenzaldehyde
CID 808792
2-[(4-bromo-3-nitrophenyl)methylideneamino]-5-methylphenol
CID 691052
1-bromo-4-(4-bromophenyl)-2-nitrobenzene
CID 58316117
1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 757863
N-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-nitrophenyl)methanimine
CID 2832836
1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3951900
1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine
CID 21240098
2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol
CID 683751

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine?
The IUPAC name of 1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine (CID 4180599) is 1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine.
What is the SMILES notation for 1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine?
The canonical SMILES for 1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine is O=[N+]([O-])c1cc(/C=N/c2ccc(Br)cc2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine?
The InChIKey is YDWXNUDWSXGNKI-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H8Br2N2O2/c14-10-2-4-11(5-3-10)16-8-9-1-6-12(15)13(7-9)17(18)19/h1-8H/b16-8+.
What are the key properties of 1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine?
1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine has a molecular weight of 384.03 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine is sourced from PubChem (CID 4180599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).