5-chloro-N-(3-chlorophenyl)-2-methoxyaniline

C13H11Cl2NO — CID 82536935

IUPAC5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1Nc1cccc(Cl)c1
InChIInChI=1S/C13H11Cl2NO/c1-17-13-6-5-10(15)8-12(13)16-11-4-2-3-9(14)7-11/h2-8,16H,1H3
InChIKeyZVPUMOBWOFANKO-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.75
Rot. Bonds3

About 5-chloro-N-(3-chlorophenyl)-2-methoxyaniline

5-chloro-N-(3-chlorophenyl)-2-methoxyaniline (PubChem CID 82536935) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 5-chloro-N-(3-chlorophenyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
PubChem CID82536935
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1Nc1cccc(Cl)c1
InChIInChI=1S/C13H11Cl2NO/c1-17-13-6-5-10(15)8-12(13)16-11-4-2-3-9(14)7-11/h2-8,16H,1H3
InChIKeyZVPUMOBWOFANKO-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline
CID 117027311
N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline
CID 82536944
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756
5-chloro-N-(2-chlorophenyl)-2-methoxyaniline
CID 82536966
N-(3-chlorophenyl)-3,4,5-trimethoxyaniline
CID 102029180
5-fluoro-N-(3-fluorophenyl)-2-methoxyaniline
CID 82537168
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
4-N-(5-chloro-2-methoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876894
1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
CID 19024304
3-[[6-(5-chloro-2-methoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193141
3-[[6-(5-chloro-2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878241
N-(3-acetylphenyl)-4-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide
CID 109221420

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chlorophenyl)-2-methoxyaniline?
The IUPAC name of 5-chloro-N-(3-chlorophenyl)-2-methoxyaniline (CID 82536935) is 5-chloro-N-(3-chlorophenyl)-2-methoxyaniline.
What is the SMILES notation for 5-chloro-N-(3-chlorophenyl)-2-methoxyaniline?
The canonical SMILES for 5-chloro-N-(3-chlorophenyl)-2-methoxyaniline is COc1ccc(Cl)cc1Nc1cccc(Cl)c1.
What is the InChIKey of 5-chloro-N-(3-chlorophenyl)-2-methoxyaniline?
The InChIKey is ZVPUMOBWOFANKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-17-13-6-5-10(15)8-12(13)16-11-4-2-3-9(14)7-11/h2-8,16H,1H3.
What are the key properties of 5-chloro-N-(3-chlorophenyl)-2-methoxyaniline?
5-chloro-N-(3-chlorophenyl)-2-methoxyaniline has a molecular weight of 268.14 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chlorophenyl)-2-methoxyaniline is sourced from PubChem (CID 82536935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).