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

C14H11BrClF2NO — CID 66158683

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline
SMILESFC(F)Oc1ccccc1NCc1cc(Cl)ccc1Br
InChIInChI=1S/C14H11BrClF2NO/c15-11-6-5-10(16)7-9(11)8-19-12-3-1-2-4-13(12)20-14(17)18/h1-7,14,19H,8H2
InChIKeyDQTVJVWIXHXQFH-UHFFFAOYSA-N
MW362.60 g/mol
LogP5.32
Rot. Bonds5

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

N-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline (PubChem CID 66158683) has the molecular formula C14H11BrClF2NO and a molecular weight of 362.60 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline
PubChem CID66158683
Molecular FormulaC14H11BrClF2NO
Molecular Weight362.60 g/mol
Exact Mass360.97
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline
SMILESFC(F)Oc1ccccc1NCc1cc(Cl)ccc1Br
InChIInChI=1S/C14H11BrClF2NO/c15-11-6-5-10(16)7-9(11)8-19-12-3-1-2-4-13(12)20-14(17)18/h1-7,14,19H,8H2
InChIKeyDQTVJVWIXHXQFH-UHFFFAOYSA-N
XLogP5.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline
CID 81268813
N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 60788909
N-[(2-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 43217892
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
CID 43425516
N-[(3-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 81143549
N-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 114452172
2-[(2-bromo-5-chlorophenyl)methylamino]benzoic acid
CID 66159480
4-bromo-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-fluoroaniline
CID 65436714
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline
CID 107609590
N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
CID 66159868
2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 63047244
N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381942

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline (CID 66158683) is N-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline is FC(F)Oc1ccccc1NCc1cc(Cl)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline?
The InChIKey is DQTVJVWIXHXQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2NO/c15-11-6-5-10(16)7-9(11)8-19-12-3-1-2-4-13(12)20-14(17)18/h1-7,14,19H,8H2.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline?
N-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline has a molecular weight of 362.60 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline is sourced from PubChem (CID 66158683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).