5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline

C13H9BrCl2FN — CID 65316210

IUPAC5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline
SMILESFc1ccc(Br)cc1NCc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9BrCl2FN/c14-9-1-4-12(17)13(6-9)18-7-8-5-10(15)2-3-11(8)16/h1-6,18H,7H2
InChIKeyMMPBGCTZXVNHSK-UHFFFAOYSA-N
MW349.03 g/mol
LogP5.51
Rot. Bonds3

About 5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline

5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline (PubChem CID 65316210) has the molecular formula C13H9BrCl2FN and a molecular weight of 349.03 g/mol. Its IUPAC name is 5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline
PubChem CID65316210
Molecular FormulaC13H9BrCl2FN
Molecular Weight349.03 g/mol
Exact Mass346.93
IUPAC Name5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline
SMILESFc1ccc(Br)cc1NCc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9BrCl2FN/c14-9-1-4-12(17)13(6-9)18-7-8-5-10(15)2-3-11(8)16/h1-6,18H,7H2
InChIKeyMMPBGCTZXVNHSK-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.03
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-methoxyaniline
CID 65316388
N-[3-[(5-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide
CID 103696999
4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline
CID 65315845
N-[(5-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 114076415
N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline
CID 43242981
6-bromo-N-[(2,5-dichlorophenyl)methyl]naphthalen-2-amine
CID 81266419
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline
CID 43555320
5-chloro-N-[(2-chlorophenyl)methyl]-2-fluoroaniline
CID 43385670
4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline
CID 114841331
5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline
CID 63423742
N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline
CID 114076385
3-[(5-bromo-2-chloroanilino)methyl]-4-fluorobenzonitrile
CID 62914878

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline?
The IUPAC name of 5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline (CID 65316210) is 5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline.
What is the SMILES notation for 5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline?
The canonical SMILES for 5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline is Fc1ccc(Br)cc1NCc1cc(Cl)ccc1Cl.
What is the InChIKey of 5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline?
The InChIKey is MMPBGCTZXVNHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2FN/c14-9-1-4-12(17)13(6-9)18-7-8-5-10(15)2-3-11(8)16/h1-6,18H,7H2.
What are the key properties of 5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline?
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline has a molecular weight of 349.03 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline is sourced from PubChem (CID 65316210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).