4-(2,4-difluorophenoxy)-3-(6-methyl-7H-furo[2,3-c]pyridin-4-yl)aniline

C20H16F2N2O2 — CID 134311520

IUPAC4-(2,4-difluorophenoxy)-3-(6-methyl-7H-furo[2,3-c]pyridin-4-yl)aniline
SMILESCN1C=C(c2cc(N)ccc2Oc2ccc(F)cc2F)c2ccoc2C1
InChIInChI=1S/C20H16F2N2O2/c1-24-10-16(14-6-7-25-20(14)11-24)15-9-13(23)3-5-18(15)26-19-4-2-12(21)8-17(19)22/h2-10H,11,23H2,1H3
InChIKeySFXSLJRNXKXSRQ-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.77
Rot. Bonds3

About 4-(2,4-difluorophenoxy)-3-(6-methyl-7H-furo[2,3-c]pyridin-4-yl)aniline

4-(2,4-difluorophenoxy)-3-(6-methyl-7H-furo[2,3-c]pyridin-4-yl)aniline (PubChem CID 134311520) has the molecular formula C20H16F2N2O2 and a molecular weight of 354.36 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-3-(6-methyl-7H-furo[2,3-c]pyridin-4-yl)aniline.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-3-(6-methyl-7H-furo[2,3-c]pyridin-4-yl)aniline
PubChem CID134311520
Molecular FormulaC20H16F2N2O2
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name4-(2,4-difluorophenoxy)-3-(6-methyl-7H-furo[2,3-c]pyridin-4-yl)aniline
SMILESCN1C=C(c2cc(N)ccc2Oc2ccc(F)cc2F)c2ccoc2C1
InChIInChI=1S/C20H16F2N2O2/c1-24-10-16(14-6-7-25-20(14)11-24)15-9-13(23)3-5-18(15)26-19-4-2-12(21)8-17(19)22/h2-10H,11,23H2,1H3
InChIKeySFXSLJRNXKXSRQ-UHFFFAOYSA-N
XLogP4.77
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-3-(6-methyl-7H-furo[2,3-c]pyridin-4-yl)aniline?
The IUPAC name of 4-(2,4-difluorophenoxy)-3-(6-methyl-7H-furo[2,3-c]pyridin-4-yl)aniline (CID 134311520) is 4-(2,4-difluorophenoxy)-3-(6-methyl-7H-furo[2,3-c]pyridin-4-yl)aniline.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-3-(6-methyl-7H-furo[2,3-c]pyridin-4-yl)aniline?
The canonical SMILES for 4-(2,4-difluorophenoxy)-3-(6-methyl-7H-furo[2,3-c]pyridin-4-yl)aniline is CN1C=C(c2cc(N)ccc2Oc2ccc(F)cc2F)c2ccoc2C1.
What is the InChIKey of 4-(2,4-difluorophenoxy)-3-(6-methyl-7H-furo[2,3-c]pyridin-4-yl)aniline?
The InChIKey is SFXSLJRNXKXSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2/c1-24-10-16(14-6-7-25-20(14)11-24)15-9-13(23)3-5-18(15)26-19-4-2-12(21)8-17(19)22/h2-10H,11,23H2,1H3.
What are the key properties of 4-(2,4-difluorophenoxy)-3-(6-methyl-7H-furo[2,3-c]pyridin-4-yl)aniline?
4-(2,4-difluorophenoxy)-3-(6-methyl-7H-furo[2,3-c]pyridin-4-yl)aniline has a molecular weight of 354.36 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-3-(6-methyl-7H-furo[2,3-c]pyridin-4-yl)aniline is sourced from PubChem (CID 134311520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).