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

C14H10BrCl2F2NO — CID 81268813

IUPAC2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline
SMILESFC(F)Oc1ccc(Cl)cc1CNc1cc(Cl)ccc1Br
InChIInChI=1S/C14H10BrCl2F2NO/c15-11-3-1-10(17)6-12(11)20-7-8-5-9(16)2-4-13(8)21-14(18)19/h1-6,14,20H,7H2
InChIKeyOWEVJOZMEJCGTP-UHFFFAOYSA-N
MW397.05 g/mol
LogP5.97
Rot. Bonds5

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

2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline (PubChem CID 81268813) has the molecular formula C14H10BrCl2F2NO and a molecular weight of 397.05 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline
PubChem CID81268813
Molecular FormulaC14H10BrCl2F2NO
Molecular Weight397.05 g/mol
Exact Mass394.93
IUPAC Name2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline
SMILESFC(F)Oc1ccc(Cl)cc1CNc1cc(Cl)ccc1Br
InChIInChI=1S/C14H10BrCl2F2NO/c15-11-3-1-10(17)6-12(11)20-7-8-5-9(16)2-4-13(8)21-14(18)19/h1-6,14,20H,7H2
InChIKeyOWEVJOZMEJCGTP-UHFFFAOYSA-N
XLogP5.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.05
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-fluoroaniline
CID 65436714
N-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 66158683
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
CID 43425516
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylaniline
CID 43425414
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719785
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 103933846
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-methylaniline
CID 63478583
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
CID 43424974
2-chloro-4-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]phenol
CID 107678079
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methylbutan-1-amine
CID 62693915
1-(4-bromothiophen-2-yl)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]methanamine
CID 60956586

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline?
The IUPAC name of 2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline (CID 81268813) is 2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline?
The canonical SMILES for 2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline is FC(F)Oc1ccc(Cl)cc1CNc1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline?
The InChIKey is OWEVJOZMEJCGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2F2NO/c15-11-3-1-10(17)6-12(11)20-7-8-5-9(16)2-4-13(8)21-14(18)19/h1-6,14,20H,7H2.
What are the key properties of 2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline?
2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline has a molecular weight of 397.05 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 81268813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).