1-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine

C20H18BrClN2O — CID 169386020

IUPAC1-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine
SMILESClc1ccc(OCc2cccc(Br)c2)c(CNNc2ccccc2)c1
InChIInChI=1S/C20H18BrClN2O/c21-17-6-4-5-15(11-17)14-25-20-10-9-18(22)12-16(20)13-23-24-19-7-2-1-3-8-19/h1-12,23-24H,13-14H2
InChIKeyNLYYUUPHBLOMTC-UHFFFAOYSA-N
MW417.73 g/mol
LogP5.80
Rot. Bonds7

About 1-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine

1-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine (PubChem CID 169386020) has the molecular formula C20H18BrClN2O and a molecular weight of 417.73 g/mol. Its IUPAC name is 1-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine
PubChem CID169386020
Molecular FormulaC20H18BrClN2O
Molecular Weight417.73 g/mol
Exact Mass416.03
IUPAC Name1-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine
SMILESClc1ccc(OCc2cccc(Br)c2)c(CNNc2ccccc2)c1
InChIInChI=1S/C20H18BrClN2O/c21-17-6-4-5-15(11-17)14-25-20-10-9-18(22)12-16(20)13-23-24-19-7-2-1-3-8-19/h1-12,23-24H,13-14H2
InChIKeyNLYYUUPHBLOMTC-UHFFFAOYSA-N
XLogP5.80
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.73
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385373
1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169386012
N-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline
CID 126116599
1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine
CID 169384738
1-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385645
1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385379
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
1-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169385134
[2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine
CID 82827870
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
2-[4-bromo-2-[(2-phenylhydrazinyl)methyl]phenoxy]acetonitrile
CID 169385065
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine?
The IUPAC name of 1-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine (CID 169386020) is 1-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine is Clc1ccc(OCc2cccc(Br)c2)c(CNNc2ccccc2)c1.
What is the InChIKey of 1-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine?
The InChIKey is NLYYUUPHBLOMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrClN2O/c21-17-6-4-5-15(11-17)14-25-20-10-9-18(22)12-16(20)13-23-24-19-7-2-1-3-8-19/h1-12,23-24H,13-14H2.
What are the key properties of 1-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine?
1-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine has a molecular weight of 417.73 g/mol, XLogP of 5.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).