[1-(1H-indol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid

C20H17N2O4P — CID 11303525

IUPAC[1-(1H-indol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid
SMILESO=C(Nc1ccc2ccccc2c1)C(c1c[nH]c2ccccc12)P(=O)(O)O
InChIInChI=1S/C20H17N2O4P/c23-20(22-15-10-9-13-5-1-2-6-14(13)11-15)19(27(24,25)26)17-12-21-18-8-4-3-7-16(17)18/h1-12,19,21H,(H,22,23)(H2,24,25,26)
InChIKeyBTRJCBFYYHFVKD-UHFFFAOYSA-N
MW380.34 g/mol
LogP4.18
Rot. Bonds4

About [1-(1H-indol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid

[1-(1H-indol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid (PubChem CID 11303525) has the molecular formula C20H17N2O4P and a molecular weight of 380.34 g/mol. Its IUPAC name is [1-(1H-indol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid.

Molecular Properties

Compound Name[1-(1H-indol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid
PubChem CID11303525
Molecular FormulaC20H17N2O4P
Molecular Weight380.34 g/mol
Exact Mass380.09
IUPAC Name[1-(1H-indol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid
SMILESO=C(Nc1ccc2ccccc2c1)C(c1c[nH]c2ccccc12)P(=O)(O)O
InChIInChI=1S/C20H17N2O4P/c23-20(22-15-10-9-13-5-1-2-6-14(13)11-15)19(27(24,25)26)17-12-21-18-8-4-3-7-16(17)18/h1-12,19,21H,(H,22,23)(H2,24,25,26)
InChIKeyBTRJCBFYYHFVKD-UHFFFAOYSA-N
XLogP4.18
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 54.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(1H-indol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid?
The IUPAC name of [1-(1H-indol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid (CID 11303525) is [1-(1H-indol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid.
What is the SMILES notation for [1-(1H-indol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid?
The canonical SMILES for [1-(1H-indol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid is O=C(Nc1ccc2ccccc2c1)C(c1c[nH]c2ccccc12)P(=O)(O)O.
What is the InChIKey of [1-(1H-indol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid?
The InChIKey is BTRJCBFYYHFVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N2O4P/c23-20(22-15-10-9-13-5-1-2-6-14(13)11-15)19(27(24,25)26)17-12-21-18-8-4-3-7-16(17)18/h1-12,19,21H,(H,22,23)(H2,24,25,26).
What are the key properties of [1-(1H-indol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid?
[1-(1H-indol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid has a molecular weight of 380.34 g/mol, XLogP of 4.18, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid is sourced from PubChem (CID 11303525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).