(2-chloro-4-fluorophenyl)-(2,5-dibromophenyl)methanamine

C13H9Br2ClFN — CID 43100650

IUPAC(2-chloro-4-fluorophenyl)-(2,5-dibromophenyl)methanamine
SMILESNC(c1ccc(F)cc1Cl)c1cc(Br)ccc1Br
InChIInChI=1S/C13H9Br2ClFN/c14-7-1-4-11(15)10(5-7)13(18)9-3-2-8(17)6-12(9)16/h1-6,13H,18H2
InChIKeyXPSPZKLWIBWQND-UHFFFAOYSA-N
MW393.48 g/mol
LogP5.05
Rot. Bonds2

About (2-chloro-4-fluorophenyl)-(2,5-dibromophenyl)methanamine

(2-chloro-4-fluorophenyl)-(2,5-dibromophenyl)methanamine (PubChem CID 43100650) has the molecular formula C13H9Br2ClFN and a molecular weight of 393.48 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(2,5-dibromophenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(2,5-dibromophenyl)methanamine
PubChem CID43100650
Molecular FormulaC13H9Br2ClFN
Molecular Weight393.48 g/mol
Exact Mass390.88
IUPAC Name(2-chloro-4-fluorophenyl)-(2,5-dibromophenyl)methanamine
SMILESNC(c1ccc(F)cc1Cl)c1cc(Br)ccc1Br
InChIInChI=1S/C13H9Br2ClFN/c14-7-1-4-11(15)10(5-7)13(18)9-3-2-8(17)6-12(9)16/h1-6,13H,18H2
InChIKeyXPSPZKLWIBWQND-UHFFFAOYSA-N
XLogP5.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(2,5-dibromophenyl)methanamine?
The IUPAC name of (2-chloro-4-fluorophenyl)-(2,5-dibromophenyl)methanamine (CID 43100650) is (2-chloro-4-fluorophenyl)-(2,5-dibromophenyl)methanamine.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(2,5-dibromophenyl)methanamine?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(2,5-dibromophenyl)methanamine is NC(c1ccc(F)cc1Cl)c1cc(Br)ccc1Br.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(2,5-dibromophenyl)methanamine?
The InChIKey is XPSPZKLWIBWQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2ClFN/c14-7-1-4-11(15)10(5-7)13(18)9-3-2-8(17)6-12(9)16/h1-6,13H,18H2.
What are the key properties of (2-chloro-4-fluorophenyl)-(2,5-dibromophenyl)methanamine?
(2-chloro-4-fluorophenyl)-(2,5-dibromophenyl)methanamine has a molecular weight of 393.48 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(2,5-dibromophenyl)methanamine is sourced from PubChem (CID 43100650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).