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

C14H9BrFN3 — CID 123201479

IUPAC2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl cyanide
SMILESN#C/C(=N\c1ccc(F)cc1)c1ccc(Br)cc1N
InChIInChI=1S/C14H9BrFN3/c15-9-1-6-12(13(18)7-9)14(8-17)19-11-4-2-10(16)3-5-11/h1-7H,18H2/b19-14+
InChIKeyCSSSWKHKLLYRCB-XMHGGMMESA-N
MW318.15 g/mol
LogP3.81
Rot. Bonds2

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

2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl cyanide (PubChem CID 123201479) has the molecular formula C14H9BrFN3 and a molecular weight of 318.15 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl cyanide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl cyanide
PubChem CID123201479
Molecular FormulaC14H9BrFN3
Molecular Weight318.15 g/mol
Exact Mass317.00
IUPAC Name2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl cyanide
SMILESN#C/C(=N\c1ccc(F)cc1)c1ccc(Br)cc1N
InChIInChI=1S/C14H9BrFN3/c15-9-1-6-12(13(18)7-9)14(8-17)19-11-4-2-10(16)3-5-11/h1-7H,18H2/b19-14+
InChIKeyCSSSWKHKLLYRCB-XMHGGMMESA-N
XLogP3.81
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-Bromobenzylidene)amino]benzonitrile
CID 568450
N-[5-bromo-2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]-1-phenylmethanimine
CID 164678045
2-amino-N'-(3-bromophenyl)benzenecarboximidamide
CID 15836407
1-(4-bromophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine
CID 14913787
(2-Amino-5-fluorophenyl)(2-bromophenyl)methanimine
CID 19022669
5-Bromo-2-[(2-fluorophenyl)methyl]aniline
CID 21497353
2-Amino-4-bromo-2',4'-difluorobiphenyl
CID 21535988
2-Amino-4-bromo-2'-fluorobiphenyl
CID 21535993
Benzhydrylidene-(5-bromo-2-fluorophenyl)-amine
CID 22031937
2-Amino-4-bromo-6-fluorobenzonitrile
CID 56973649
2-[2-(4-Bromophenyl)ethyl]-4-fluoroaniline
CID 58564964
2-[2-(4-Bromophenyl)ethyl]-5-fluoroaniline
CID 58564996

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl cyanide?
The IUPAC name of 2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl cyanide (CID 123201479) is 2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl cyanide.
What is the SMILES notation for 2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl cyanide?
The canonical SMILES for 2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl cyanide is N#C/C(=N\c1ccc(F)cc1)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl cyanide?
The InChIKey is CSSSWKHKLLYRCB-XMHGGMMESA-N. The full InChI is InChI=1S/C14H9BrFN3/c15-9-1-6-12(13(18)7-9)14(8-17)19-11-4-2-10(16)3-5-11/h1-7H,18H2/b19-14+.
What are the key properties of 2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl cyanide?
2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl cyanide has a molecular weight of 318.15 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(4-fluorophenyl)benzenecarboximidoyl cyanide is sourced from PubChem (CID 123201479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).