3-[(5,6-difluoro-1H-indol-2-yl)methoxy]benzamide

C16H12F2N2O2 — CID 22568421

IUPAC3-[(5,6-difluoro-1H-indol-2-yl)methoxy]benzamide
SMILESNC(=O)c1cccc(OCc2cc3cc(F)c(F)cc3[nH]2)c1
InChIInChI=1S/C16H12F2N2O2/c17-13-6-10-4-11(20-15(10)7-14(13)18)8-22-12-3-1-2-9(5-12)16(19)21/h1-7,20H,8H2,(H2,19,21)
InChIKeyUHGBXIVBJUJMBB-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.12
Rot. Bonds4

About 3-[(5,6-difluoro-1H-indol-2-yl)methoxy]benzamide

3-[(5,6-difluoro-1H-indol-2-yl)methoxy]benzamide (PubChem CID 22568421) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is 3-[(5,6-difluoro-1H-indol-2-yl)methoxy]benzamide.

Molecular Properties

Compound Name3-[(5,6-difluoro-1H-indol-2-yl)methoxy]benzamide
PubChem CID22568421
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name3-[(5,6-difluoro-1H-indol-2-yl)methoxy]benzamide
SMILESNC(=O)c1cccc(OCc2cc3cc(F)c(F)cc3[nH]2)c1
InChIInChI=1S/C16H12F2N2O2/c17-13-6-10-4-11(20-15(10)7-14(13)18)8-22-12-3-1-2-9(5-12)16(19)21/h1-7,20H,8H2,(H2,19,21)
InChIKeyUHGBXIVBJUJMBB-UHFFFAOYSA-N
XLogP3.12
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
3-[(2,3,6-trifluorophenyl)methoxy]benzamide
CID 69123710
2-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid
CID 117180415
2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid
CID 117180416
2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol
CID 117180212
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
3-[(4-fluorophenoxy)methyl]benzamide
CID 47027867
2-[(3-fluorophenoxy)methyl]-1H-indole
CID 117173285
3-(6-bromohexoxy)benzamide
CID 59402930
3-(10-bromodecoxy)benzamide
CID 59402968
3-propoxybenzamide
CID 22311435
3-(2-phenylethoxy)benzamide
CID 17135006

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-difluoro-1H-indol-2-yl)methoxy]benzamide?
The IUPAC name of 3-[(5,6-difluoro-1H-indol-2-yl)methoxy]benzamide (CID 22568421) is 3-[(5,6-difluoro-1H-indol-2-yl)methoxy]benzamide.
What is the SMILES notation for 3-[(5,6-difluoro-1H-indol-2-yl)methoxy]benzamide?
The canonical SMILES for 3-[(5,6-difluoro-1H-indol-2-yl)methoxy]benzamide is NC(=O)c1cccc(OCc2cc3cc(F)c(F)cc3[nH]2)c1.
What is the InChIKey of 3-[(5,6-difluoro-1H-indol-2-yl)methoxy]benzamide?
The InChIKey is UHGBXIVBJUJMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c17-13-6-10-4-11(20-15(10)7-14(13)18)8-22-12-3-1-2-9(5-12)16(19)21/h1-7,20H,8H2,(H2,19,21).
What are the key properties of 3-[(5,6-difluoro-1H-indol-2-yl)methoxy]benzamide?
3-[(5,6-difluoro-1H-indol-2-yl)methoxy]benzamide has a molecular weight of 302.28 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-difluoro-1H-indol-2-yl)methoxy]benzamide is sourced from PubChem (CID 22568421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).