[5-[3-(aminomethyl)-5-chloro-4-methoxyphenyl]thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone

C19H14ClF2NO3S — CID 122662501

IUPAC[5-[3-(aminomethyl)-5-chloro-4-methoxyphenyl]thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
SMILESCOc1c(Cl)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1CN
InChIInChI=1S/C19H14ClF2NO3S/c1-26-19-10(8-23)6-9(7-11(19)20)14-4-5-15(27-14)18(25)16-12(21)2-3-13(24)17(16)22/h2-7,24H,8,23H2,1H3
InChIKeyRQEHUWIOHCUAGP-UHFFFAOYSA-N
MW409.84 g/mol
LogP4.75
Rot. Bonds5

About [5-[3-(aminomethyl)-5-chloro-4-methoxyphenyl]thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone

[5-[3-(aminomethyl)-5-chloro-4-methoxyphenyl]thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone (PubChem CID 122662501) has the molecular formula C19H14ClF2NO3S and a molecular weight of 409.84 g/mol. Its IUPAC name is [5-[3-(aminomethyl)-5-chloro-4-methoxyphenyl]thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-[3-(aminomethyl)-5-chloro-4-methoxyphenyl]thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
PubChem CID122662501
Molecular FormulaC19H14ClF2NO3S
Molecular Weight409.84 g/mol
Exact Mass409.04
IUPAC Name[5-[3-(aminomethyl)-5-chloro-4-methoxyphenyl]thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
SMILESCOc1c(Cl)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1CN
InChIInChI=1S/C19H14ClF2NO3S/c1-26-19-10(8-23)6-9(7-11(19)20)14-4-5-15(27-14)18(25)16-12(21)2-3-13(24)17(16)22/h2-7,24H,8,23H2,1H3
InChIKeyRQEHUWIOHCUAGP-UHFFFAOYSA-N
XLogP4.75
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.84
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-[3-(aminomethyl)-5-chloro-4-methoxyphenyl]thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone with MolForge

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Related Compounds

[5-(3-Chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 91820627
[5-(3,5-Dichloro-4-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652898
[5-(3-Chloro-4-methoxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 122652936
[5-(3,5-Dichloro-4-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 122652998
[5-[3-Chloro-4-methoxy-5-(piperazin-1-ylmethyl)phenyl]thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 122652942
[5-(3-Chloro-4-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 122652958
(2-Chloro-6-fluoro-3-hydroxyphenyl)-[5-(3,5-dichloro-4-methoxyphenyl)thiophen-2-yl]methanone
CID 122652995
1-[4-[[3-Chloro-5-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]-2-methoxyphenyl]methyl]piperazin-1-yl]ethanone
CID 122653003
[5-(3,5-Dichloro-4-methoxyphenyl)thiophen-2-yl]-(3-hydroxyphenyl)methanone
CID 137644465
[5-[3-(Azidomethyl)-5-chloro-4-methoxyphenyl]thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 122652927
[5-(3-Chloro-2-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 122652974
[5-(3-Chloro-4-methoxyphenyl)-4-methylthiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 122653028

Frequently Asked Questions

What is the IUPAC name of [5-[3-(aminomethyl)-5-chloro-4-methoxyphenyl]thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [5-[3-(aminomethyl)-5-chloro-4-methoxyphenyl]thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone (CID 122662501) is [5-[3-(aminomethyl)-5-chloro-4-methoxyphenyl]thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [5-[3-(aminomethyl)-5-chloro-4-methoxyphenyl]thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [5-[3-(aminomethyl)-5-chloro-4-methoxyphenyl]thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone is COc1c(Cl)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1CN.
What is the InChIKey of [5-[3-(aminomethyl)-5-chloro-4-methoxyphenyl]thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The InChIKey is RQEHUWIOHCUAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NO3S/c1-26-19-10(8-23)6-9(7-11(19)20)14-4-5-15(27-14)18(25)16-12(21)2-3-13(24)17(16)22/h2-7,24H,8,23H2,1H3.
What are the key properties of [5-[3-(aminomethyl)-5-chloro-4-methoxyphenyl]thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
[5-[3-(aminomethyl)-5-chloro-4-methoxyphenyl]thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone has a molecular weight of 409.84 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(aminomethyl)-5-chloro-4-methoxyphenyl]thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 122662501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).