5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline

C14H12BrClFN — CID 63445396

IUPAC5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
SMILESCc1ccc(Br)cc1NCc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H12BrClFN/c1-9-2-4-11(15)7-14(9)18-8-10-3-5-12(16)13(17)6-10/h2-7,18H,8H2,1H3
InChIKeyQRSYHWVERYOZDO-UHFFFAOYSA-N
MW328.61 g/mol
LogP5.16
Rot. Bonds3

About 5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline

5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline (PubChem CID 63445396) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is 5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
PubChem CID63445396
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
SMILESCc1ccc(Br)cc1NCc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H12BrClFN/c1-9-2-4-11(15)7-14(9)18-8-10-3-5-12(16)13(17)6-10/h2-7,18H,8H2,1H3
InChIKeyQRSYHWVERYOZDO-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.61
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591449
4-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylaniline
CID 55193295
4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63420408
2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-5-methylaniline
CID 82761517
4-[(5-bromo-2-chloroanilino)methyl]-2-fluorophenol
CID 107685767
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline
CID 83235718
N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818227
N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline
CID 114076385
N-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline
CID 115212391
2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol
CID 60960746
4-[(5-bromo-2-chloroanilino)methyl]-2,6-difluorophenol
CID 79891306
5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline
CID 43729443

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline?
The IUPAC name of 5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline (CID 63445396) is 5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline.
What is the SMILES notation for 5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline?
The canonical SMILES for 5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline is Cc1ccc(Br)cc1NCc1ccc(Cl)c(F)c1.
What is the InChIKey of 5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline?
The InChIKey is QRSYHWVERYOZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c1-9-2-4-11(15)7-14(9)18-8-10-3-5-12(16)13(17)6-10/h2-7,18H,8H2,1H3.
What are the key properties of 5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline?
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline has a molecular weight of 328.61 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline is sourced from PubChem (CID 63445396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).