N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline

C21H17BrCl2FNO2 — CID 66543876

IUPACN-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline
SMILESCOc1ccc(Br)c(CNc2ccc(Cl)cc2Cl)c1OCc1ccccc1F
InChIInChI=1S/C21H17BrCl2FNO2/c1-27-20-9-7-16(22)15(11-26-19-8-6-14(23)10-17(19)24)21(20)28-12-13-4-2-3-5-18(13)25/h2-10,26H,11-12H2,1H3
InChIKeyHYCVLDKVMLBRPD-UHFFFAOYSA-N
MW485.18 g/mol
LogP7.09
Rot. Bonds7

About N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline

N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline (PubChem CID 66543876) has the molecular formula C21H17BrCl2FNO2 and a molecular weight of 485.18 g/mol. Its IUPAC name is N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline.

Molecular Properties

Compound NameN-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline
PubChem CID66543876
Molecular FormulaC21H17BrCl2FNO2
Molecular Weight485.18 g/mol
Exact Mass482.98
IUPAC NameN-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline
SMILESCOc1ccc(Br)c(CNc2ccc(Cl)cc2Cl)c1OCc1ccccc1F
InChIInChI=1S/C21H17BrCl2FNO2/c1-27-20-9-7-16(22)15(11-26-19-8-6-14(23)10-17(19)24)21(20)28-12-13-4-2-3-5-18(13)25/h2-10,26H,11-12H2,1H3
InChIKeyHYCVLDKVMLBRPD-UHFFFAOYSA-N
XLogP7.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.18
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline
CID 66543977
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline
CID 66544036
4-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-methylbenzoic acid
CID 66544243
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2,5-dichloroaniline
CID 66543312
N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine
CID 66535915
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 66535982
N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine
CID 66544389
N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine
CID 66536432
4-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-methylbenzoic acid
CID 66544348
N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,4-dimethylaniline
CID 66544347
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2,4-dichloroaniline
CID 66544823
4-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 66536445

Frequently Asked Questions

What is the IUPAC name of N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline?
The IUPAC name of N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline (CID 66543876) is N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline.
What is the SMILES notation for N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline?
The canonical SMILES for N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline is COc1ccc(Br)c(CNc2ccc(Cl)cc2Cl)c1OCc1ccccc1F.
What is the InChIKey of N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline?
The InChIKey is HYCVLDKVMLBRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrCl2FNO2/c1-27-20-9-7-16(22)15(11-26-19-8-6-14(23)10-17(19)24)21(20)28-12-13-4-2-3-5-18(13)25/h2-10,26H,11-12H2,1H3.
What are the key properties of N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline?
N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline has a molecular weight of 485.18 g/mol, XLogP of 7.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline is sourced from PubChem (CID 66543876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).