2-amino-5-bromo-N-(diaminomethylidene)benzamide

C8H9BrN4O — CID 45267826

IUPAC2-amino-5-bromo-N-(diaminomethylidene)benzamide
SMILESNC(N)=NC(=O)c1cc(Br)ccc1N
InChIInChI=1S/C8H9BrN4O/c9-4-1-2-6(10)5(3-4)7(14)13-8(11)12/h1-3H,10H2,(H4,11,12,13,14)
InChIKeySUEWMUNJZLEZQV-UHFFFAOYSA-N
MW257.09 g/mol
LogP0.44
Rot. Bonds1

About 2-amino-5-bromo-N-(diaminomethylidene)benzamide

2-amino-5-bromo-N-(diaminomethylidene)benzamide (PubChem CID 45267826) has the molecular formula C8H9BrN4O and a molecular weight of 257.09 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(diaminomethylidene)benzamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(diaminomethylidene)benzamide
PubChem CID45267826
Molecular FormulaC8H9BrN4O
Molecular Weight257.09 g/mol
Exact Mass256.00
IUPAC Name2-amino-5-bromo-N-(diaminomethylidene)benzamide
SMILESNC(N)=NC(=O)c1cc(Br)ccc1N
InChIInChI=1S/C8H9BrN4O/c9-4-1-2-6(10)5(3-4)7(14)13-8(11)12/h1-3H,10H2,(H4,11,12,13,14)
InChIKeySUEWMUNJZLEZQV-UHFFFAOYSA-N
XLogP0.44
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-Amino-5-bromobenzophenone
CID 99677
6-Bromo-4-hydroxyquinazoline
CID 135444905
6-Bromo-2-methylquinazolin-4-ol
CID 135408795
2-[2-(3-bromophenyl)vinyl]-4(3H)-quinazolinone
CID 135446761
2-Amino-5-bromobenzamide
CID 5019271
1-(2-Amino-5-bromophenyl)propan-1-one
CID 10082478
1-(2-Amino-5-bromophenyl)ethan-1-one
CID 11074746
6-Bromo-3,4-dihydro-1,2,3-benzotriazin-4-one
CID 135469013
5-Bromo-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide
CID 53329234
6-Bromo-3-ethylquinazolin-4-one
CID 40557773
6-Bromo-3-propylquinazolin-4-one
CID 42893846
6-Bromo-3-methyl-3,4-dihydroquinazolin-4-one
CID 4216977

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(diaminomethylidene)benzamide?
The IUPAC name of 2-amino-5-bromo-N-(diaminomethylidene)benzamide (CID 45267826) is 2-amino-5-bromo-N-(diaminomethylidene)benzamide.
What is the SMILES notation for 2-amino-5-bromo-N-(diaminomethylidene)benzamide?
The canonical SMILES for 2-amino-5-bromo-N-(diaminomethylidene)benzamide is NC(N)=NC(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-amino-5-bromo-N-(diaminomethylidene)benzamide?
The InChIKey is SUEWMUNJZLEZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4O/c9-4-1-2-6(10)5(3-4)7(14)13-8(11)12/h1-3H,10H2,(H4,11,12,13,14).
What are the key properties of 2-amino-5-bromo-N-(diaminomethylidene)benzamide?
2-amino-5-bromo-N-(diaminomethylidene)benzamide has a molecular weight of 257.09 g/mol, XLogP of 0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(diaminomethylidene)benzamide is sourced from PubChem (CID 45267826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).