2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl chloride

C13H9BrClFN2 — CID 123752563

IUPAC2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl chloride
SMILESNc1cc(Br)ccc1/C(Cl)=N/c1ccc(F)cc1
InChIInChI=1S/C13H9BrClFN2/c14-8-1-6-11(12(17)7-8)13(15)18-10-4-2-9(16)3-5-10/h1-7H,17H2/b18-13-
InChIKeyGHDLZSDMNAXCOW-AQTBWJFISA-N
MW327.58 g/mol
LogP4.49
Rot. Bonds2

About 2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl chloride

2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl chloride (PubChem CID 123752563) has the molecular formula C13H9BrClFN2 and a molecular weight of 327.58 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl chloride
PubChem CID123752563
Molecular FormulaC13H9BrClFN2
Molecular Weight327.58 g/mol
Exact Mass325.96
IUPAC Name2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl chloride
SMILESNc1cc(Br)ccc1/C(Cl)=N/c1ccc(F)cc1
InChIInChI=1S/C13H9BrClFN2/c14-8-1-6-11(12(17)7-8)13(15)18-10-4-2-9(16)3-5-10/h1-7H,17H2/b18-13-
InChIKeyGHDLZSDMNAXCOW-AQTBWJFISA-N
XLogP4.49
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzoyl chloride, p-bromo-, phenylhydrazone
CID 9570440
4-Bromo-N-phenylbenzenecarbohydrazonoyl chloride
CID 33247
2-amino-N'-(3-bromophenyl)benzenecarboximidamide
CID 15836407
(5e,11e)-3,9-Dibromo-6,12-dichlorodibenzo[b,f][1,5]diazocine
CID 134311193
(2-Amino-5-fluorophenyl)(2-bromophenyl)methanimine
CID 19022669
5-Bromo-2-[(2-fluorophenyl)methyl]aniline
CID 21497353
2-Amino-4-bromo-2'-fluorobiphenyl
CID 21535993
N-(4-bromophenyl)-4-(trifluoromethyl)benzenecarboximidoyl chloride
CID 57897968
N-(4-bromo-phenyl)-2-fluoro-benzimidoyl chloride
CID 86241240
2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl cyanide
CID 123201479
5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline
CID 134405282
4-bromo-3-fluoro-N'-(4-methylphenyl)benzenecarboximidamide
CID 140299845

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl chloride?
The IUPAC name of 2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl chloride (CID 123752563) is 2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl chloride.
What is the SMILES notation for 2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl chloride?
The canonical SMILES for 2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl chloride is Nc1cc(Br)ccc1/C(Cl)=N/c1ccc(F)cc1.
What is the InChIKey of 2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl chloride?
The InChIKey is GHDLZSDMNAXCOW-AQTBWJFISA-N. The full InChI is InChI=1S/C13H9BrClFN2/c14-8-1-6-11(12(17)7-8)13(15)18-10-4-2-9(16)3-5-10/h1-7H,17H2/b18-13-.
What are the key properties of 2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl chloride?
2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl chloride has a molecular weight of 327.58 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl chloride is sourced from PubChem (CID 123752563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).