2-(2,4-difluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)acetamide

C20H15F2N3O2 — CID 175599474

IUPAC2-(2,4-difluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)acetamide
SMILESCOc1ccc2c(c1)[nH]c1c(NC(=O)Cc3ccc(F)cc3F)nccc12
InChIInChI=1S/C20H15F2N3O2/c1-27-13-4-5-14-15-6-7-23-20(19(15)24-17(14)10-13)25-18(26)8-11-2-3-12(21)9-16(11)22/h2-7,9-10,24H,8H2,1H3,(H,23,25,26)
InChIKeyVVIUJJDHWSVTGT-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.18
Rot. Bonds4

About 2-(2,4-difluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)acetamide

2-(2,4-difluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)acetamide (PubChem CID 175599474) has the molecular formula C20H15F2N3O2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)acetamide
PubChem CID175599474
Molecular FormulaC20H15F2N3O2
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name2-(2,4-difluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)acetamide
SMILESCOc1ccc2c(c1)[nH]c1c(NC(=O)Cc3ccc(F)cc3F)nccc12
InChIInChI=1S/C20H15F2N3O2/c1-27-13-4-5-14-15-6-7-23-20(19(15)24-17(14)10-13)25-18(26)8-11-2-3-12(21)9-16(11)22/h2-7,9-10,24H,8H2,1H3,(H,23,25,26)
InChIKeyVVIUJJDHWSVTGT-UHFFFAOYSA-N
XLogP4.18
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)acetamide (CID 175599474) is 2-(2,4-difluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)acetamide is COc1ccc2c(c1)[nH]c1c(NC(=O)Cc3ccc(F)cc3F)nccc12.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)acetamide?
The InChIKey is VVIUJJDHWSVTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2/c1-27-13-4-5-14-15-6-7-23-20(19(15)24-17(14)10-13)25-18(26)8-11-2-3-12(21)9-16(11)22/h2-7,9-10,24H,8H2,1H3,(H,23,25,26).
What are the key properties of 2-(2,4-difluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)acetamide?
2-(2,4-difluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)acetamide has a molecular weight of 367.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)acetamide is sourced from PubChem (CID 175599474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).