N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline

C14H11BrCl2FN — CID 104726869

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline
SMILESCc1cc(Cl)c(NCc2cc(F)ccc2Br)cc1Cl
InChIInChI=1S/C14H11BrCl2FN/c1-8-4-13(17)14(6-12(8)16)19-7-9-5-10(18)2-3-11(9)15/h2-6,19H,7H2,1H3
InChIKeyLOZPUWWJHOYIOO-UHFFFAOYSA-N
MW363.06 g/mol
LogP5.82
Rot. Bonds3

About N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline

N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline (PubChem CID 104726869) has the molecular formula C14H11BrCl2FN and a molecular weight of 363.06 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline
PubChem CID104726869
Molecular FormulaC14H11BrCl2FN
Molecular Weight363.06 g/mol
Exact Mass360.94
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline
SMILESCc1cc(Cl)c(NCc2cc(F)ccc2Br)cc1Cl
InChIInChI=1S/C14H11BrCl2FN/c1-8-4-13(17)14(6-12(8)16)19-7-9-5-10(18)2-3-11(9)15/h2-6,19H,7H2,1H3
InChIKeyLOZPUWWJHOYIOO-UHFFFAOYSA-N
XLogP5.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.06
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline
CID 104722778
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
2,5-dichloro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 113445808
N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381942
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline
CID 28545060
2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline
CID 104726385
N-[(3-bromo-4-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline
CID 104726083
2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline
CID 104792082
2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-4,5-dimethoxyaniline
CID 103944246
4-[(2-bromo-5-fluorophenyl)methylamino]-3-methylbenzonitrile
CID 54902973
N-[(2-bromo-5-fluorophenyl)methyl]-2,3,4-trifluoroaniline
CID 28574347
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline (CID 104726869) is N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline is Cc1cc(Cl)c(NCc2cc(F)ccc2Br)cc1Cl.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline?
The InChIKey is LOZPUWWJHOYIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FN/c1-8-4-13(17)14(6-12(8)16)19-7-9-5-10(18)2-3-11(9)15/h2-6,19H,7H2,1H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline?
N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline has a molecular weight of 363.06 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline is sourced from PubChem (CID 104726869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).