2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline

C13H9Br2ClFN — CID 63492584

IUPAC2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2ccc(Br)cc2Br)c(Cl)c1
InChIInChI=1S/C13H9Br2ClFN/c14-9-2-4-13(11(15)5-9)18-7-8-1-3-10(17)6-12(8)16/h1-6,18H,7H2
InChIKeyPWCIGBXGGSORMK-UHFFFAOYSA-N
MW393.48 g/mol
LogP5.62
Rot. Bonds3

About 2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline

2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline (PubChem CID 63492584) has the molecular formula C13H9Br2ClFN and a molecular weight of 393.48 g/mol. Its IUPAC name is 2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline
PubChem CID63492584
Molecular FormulaC13H9Br2ClFN
Molecular Weight393.48 g/mol
Exact Mass390.88
IUPAC Name2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2ccc(Br)cc2Br)c(Cl)c1
InChIInChI=1S/C13H9Br2ClFN/c14-9-2-4-13(11(15)5-9)18-7-8-1-3-10(17)6-12(8)16/h1-6,18H,7H2
InChIKeyPWCIGBXGGSORMK-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 113470951
2-bromo-4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 81270505
N-[(5-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 114076415
2,4-dibromo-N-[(2-chlorophenyl)methyl]aniline
CID 43229923
N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769585
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047
5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine
CID 114064009
4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469947
N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline
CID 113470955
N-[(2-bromo-4-fluorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 63491887
2-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline
CID 114259117
2-chloro-6-[(2,4-dibromoanilino)methyl]phenol
CID 112606455

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline?
The IUPAC name of 2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline (CID 63492584) is 2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline.
What is the SMILES notation for 2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline?
The canonical SMILES for 2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline is Fc1ccc(CNc2ccc(Br)cc2Br)c(Cl)c1.
What is the InChIKey of 2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline?
The InChIKey is PWCIGBXGGSORMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2ClFN/c14-9-2-4-13(11(15)5-9)18-7-8-1-3-10(17)6-12(8)16/h1-6,18H,7H2.
What are the key properties of 2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline?
2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline has a molecular weight of 393.48 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline is sourced from PubChem (CID 63492584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).