N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline

C13H11ClFNO — CID 82536944

IUPACN-(3-chlorophenyl)-3-fluoro-4-methoxyaniline
SMILESCOc1ccc(Nc2cccc(Cl)c2)cc1F
InChIInChI=1S/C13H11ClFNO/c1-17-13-6-5-11(8-12(13)15)16-10-4-2-3-9(14)7-10/h2-8,16H,1H3
InChIKeyQYLYGEUUFMTKKH-UHFFFAOYSA-N
MW251.69 g/mol
LogP4.23
Rot. Bonds3

About N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline

N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline (PubChem CID 82536944) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-fluoro-4-methoxyaniline
PubChem CID82536944
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC NameN-(3-chlorophenyl)-3-fluoro-4-methoxyaniline
SMILESCOc1ccc(Nc2cccc(Cl)c2)cc1F
InChIInChI=1S/C13H11ClFNO/c1-17-13-6-5-11(8-12(13)15)16-10-4-2-3-9(14)7-10/h2-8,16H,1H3
InChIKeyQYLYGEUUFMTKKH-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
CID 82536935
3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline
CID 8972803
N-(3-chlorophenyl)-3,4,5-trimethoxyaniline
CID 102029180
2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine
CID 110452762
5-chloro-2-(3-fluoro-4-methoxyanilino)benzenecarbothioamide
CID 62494355
3-fluoro-4-methoxy-N-methylaniline
CID 21307269
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
4-N-(3-chloro-4-methoxyphenyl)-6-N-(3-chlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877975
N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 65315852
N-(3-chlorophenyl)-2,6-difluoroaniline
CID 82536842
4-(3-fluoro-4-methoxyanilino)benzenecarbothioamide
CID 43380976
6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112878014

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline?
The IUPAC name of N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline (CID 82536944) is N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline.
What is the SMILES notation for N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline?
The canonical SMILES for N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline is COc1ccc(Nc2cccc(Cl)c2)cc1F.
What is the InChIKey of N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline?
The InChIKey is QYLYGEUUFMTKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c1-17-13-6-5-11(8-12(13)15)16-10-4-2-3-9(14)7-10/h2-8,16H,1H3.
What are the key properties of N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline?
N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline has a molecular weight of 251.69 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline is sourced from PubChem (CID 82536944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).