N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline

C14H11Cl2F2NO — CID 60788909

IUPACN-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline
SMILESFC(F)Oc1ccccc1NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H11Cl2F2NO/c15-10-5-9(6-11(16)7-10)8-19-12-3-1-2-4-13(12)20-14(17)18/h1-7,14,19H,8H2
InChIKeyZZPJLUQFKNIJFL-UHFFFAOYSA-N
MW318.15 g/mol
LogP5.21
Rot. Bonds5

About N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline

N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline (PubChem CID 60788909) has the molecular formula C14H11Cl2F2NO and a molecular weight of 318.15 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline
PubChem CID60788909
Molecular FormulaC14H11Cl2F2NO
Molecular Weight318.15 g/mol
Exact Mass317.02
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline
SMILESFC(F)Oc1ccccc1NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H11Cl2F2NO/c15-10-5-9(6-11(16)7-10)8-19-12-3-1-2-4-13(12)20-14(17)18/h1-7,14,19H,8H2
InChIKeyZZPJLUQFKNIJFL-UHFFFAOYSA-N
XLogP5.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.15
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 114452172
N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline
CID 54802436
N-[(3-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 81143549
4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol
CID 79881310
4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 28623945
2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline
CID 115526003
N-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 66158683
N-[(2-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 43217892
2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43235541
2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 63047244
N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
CID 60922273
N-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline
CID 63452474

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline (CID 60788909) is N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline is FC(F)Oc1ccccc1NCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline?
The InChIKey is ZZPJLUQFKNIJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2NO/c15-10-5-9(6-11(16)7-10)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-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline?
N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline has a molecular weight of 318.15 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline is sourced from PubChem (CID 60788909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).