5-bromo-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)aniline

C14H10BrClF3N — CID 107286219

IUPAC5-bromo-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Br)cc1NCc1cccc(Cl)c1
InChIInChI=1S/C14H10BrClF3N/c15-10-4-5-12(14(17,18)19)13(7-10)20-8-9-2-1-3-11(16)6-9/h1-7,20H,8H2
InChIKeyRTLMDZQOIKZACE-UHFFFAOYSA-N
MW364.59 g/mol
LogP5.73
Rot. Bonds3

About 5-bromo-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)aniline

5-bromo-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 107286219) has the molecular formula C14H10BrClF3N and a molecular weight of 364.59 g/mol. Its IUPAC name is 5-bromo-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-bromo-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)aniline
PubChem CID107286219
Molecular FormulaC14H10BrClF3N
Molecular Weight364.59 g/mol
Exact Mass362.96
IUPAC Name5-bromo-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Br)cc1NCc1cccc(Cl)c1
InChIInChI=1S/C14H10BrClF3N/c15-10-4-5-12(14(17,18)19)13(7-10)20-8-9-2-1-3-11(16)6-9/h1-7,20H,8H2
InChIKeyRTLMDZQOIKZACE-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.59
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline
CID 107286070
3-bromo-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 65491991
2-[[5-bromo-2-(trifluoromethyl)anilino]methyl]phenol
CID 107286631
4-bromo-N-[(3-chlorophenyl)methyl]-2-methoxyaniline
CID 166090636
N-benzyl-4-bromo-2-(trifluoromethyl)aniline
CID 60792374
5-bromo-2-(trifluoromethyl)-N-(5,5,5-trifluoropentyl)aniline
CID 107286470
4-bromo-N-[(3-chlorophenyl)methyl]-2-nitroaniline
CID 24902959
5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline
CID 107286240
5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 168581795
N-[(3-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 43689179
1-N-[(3-chlorophenyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 62537577
3-[[4-bromo-2-(trifluoromethyl)anilino]methyl]benzonitrile
CID 60792859

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 5-bromo-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)aniline (CID 107286219) is 5-bromo-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 5-bromo-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 5-bromo-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)aniline is FC(F)(F)c1ccc(Br)cc1NCc1cccc(Cl)c1.
What is the InChIKey of 5-bromo-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is RTLMDZQOIKZACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF3N/c15-10-4-5-12(14(17,18)19)13(7-10)20-8-9-2-1-3-11(16)6-9/h1-7,20H,8H2.
What are the key properties of 5-bromo-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)aniline?
5-bromo-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 364.59 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 107286219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).