2-amino-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]acetamide

C17H14N4O2 — CID 91668556

IUPAC2-amino-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]acetamide
SMILESN#Cc1c[nH]c2ccc(Oc3ccc(NC(=O)CN)cc3)cc12
InChIInChI=1S/C17H14N4O2/c18-8-11-10-20-16-6-5-14(7-15(11)16)23-13-3-1-12(2-4-13)21-17(22)9-19/h1-7,10,20H,9,19H2,(H,21,22)
InChIKeyFTYQKBVNGALNLT-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.73
Rot. Bonds4

About 2-amino-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]acetamide

2-amino-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]acetamide (PubChem CID 91668556) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-amino-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]acetamide
PubChem CID91668556
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name2-amino-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]acetamide
SMILESN#Cc1c[nH]c2ccc(Oc3ccc(NC(=O)CN)cc3)cc12
InChIInChI=1S/C17H14N4O2/c18-8-11-10-20-16-6-5-14(7-15(11)16)23-13-3-1-12(2-4-13)21-17(22)9-19/h1-7,10,20H,9,19H2,(H,21,22)
InChIKeyFTYQKBVNGALNLT-UHFFFAOYSA-N
XLogP2.73
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]acetamide?
The IUPAC name of 2-amino-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]acetamide (CID 91668556) is 2-amino-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]acetamide is N#Cc1c[nH]c2ccc(Oc3ccc(NC(=O)CN)cc3)cc12.
What is the InChIKey of 2-amino-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]acetamide?
The InChIKey is FTYQKBVNGALNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c18-8-11-10-20-16-6-5-14(7-15(11)16)23-13-3-1-12(2-4-13)21-17(22)9-19/h1-7,10,20H,9,19H2,(H,21,22).
What are the key properties of 2-amino-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]acetamide?
2-amino-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]acetamide has a molecular weight of 306.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]acetamide is sourced from PubChem (CID 91668556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).