2-(5-nitroindol-1-yl)-N-(9H-xanthen-9-yl)acetamide

C23H17N3O4 — CID 56547425

IUPAC2-(5-nitroindol-1-yl)-N-(9H-xanthen-9-yl)acetamide
SMILESO=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H17N3O4/c27-22(14-25-12-11-15-13-16(26(28)29)9-10-19(15)25)24-23-17-5-1-3-7-20(17)30-21-8-4-2-6-18(21)23/h1-13,23H,14H2,(H,24,27)
InChIKeyWFQTZKQLRAQYQD-UHFFFAOYSA-N
MW399.41 g/mol
LogP4.56
Rot. Bonds4

About 2-(5-nitroindol-1-yl)-N-(9H-xanthen-9-yl)acetamide

2-(5-nitroindol-1-yl)-N-(9H-xanthen-9-yl)acetamide (PubChem CID 56547425) has the molecular formula C23H17N3O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is 2-(5-nitroindol-1-yl)-N-(9H-xanthen-9-yl)acetamide.

Molecular Properties

Compound Name2-(5-nitroindol-1-yl)-N-(9H-xanthen-9-yl)acetamide
PubChem CID56547425
Molecular FormulaC23H17N3O4
Molecular Weight399.41 g/mol
Exact Mass399.12
IUPAC Name2-(5-nitroindol-1-yl)-N-(9H-xanthen-9-yl)acetamide
SMILESO=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H17N3O4/c27-22(14-25-12-11-15-13-16(26(28)29)9-10-19(15)25)24-23-17-5-1-3-7-20(17)30-21-8-4-2-6-18(21)23/h1-13,23H,14H2,(H,24,27)
InChIKeyWFQTZKQLRAQYQD-UHFFFAOYSA-N
XLogP4.56
TPSA86.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(5-nitroindol-1-yl)acetamide
CID 47460620
[[2-(5-nitroindol-1-yl)acetyl]amino]carbamodithioic acid
CID 11121605
N-(2-methylbutan-2-yl)-2-(5-nitroindol-1-yl)acetamide
CID 115596181
1-(5-nitroindol-1-yl)butan-2-one
CID 62041234
1-(2-methylprop-2-enyl)-5-nitroindole
CID 116619158
N-(1-tert-butylbenzimidazol-2-yl)-2-(5-nitroindol-1-yl)acetamide
CID 71883752
2-[4-[[2-(5-nitroindol-1-yl)acetyl]amino]oxan-4-yl]acetic acid
CID 119214999
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(5-nitroindol-1-yl)ethanone
CID 94820383
(2R)-N-tert-butyl-2-[[2-(5-nitroindol-1-yl)acetyl]amino]propanamide
CID 94820065
N-cycloheptyl-N-methyl-2-(5-nitroindol-1-yl)acetamide
CID 51127177
3-[(5-nitroindol-1-yl)methyl]thiophene-2-carboxylic acid
CID 63640030
5-(5-nitroindol-1-yl)pentanoic acid
CID 21202644

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitroindol-1-yl)-N-(9H-xanthen-9-yl)acetamide?
The IUPAC name of 2-(5-nitroindol-1-yl)-N-(9H-xanthen-9-yl)acetamide (CID 56547425) is 2-(5-nitroindol-1-yl)-N-(9H-xanthen-9-yl)acetamide.
What is the SMILES notation for 2-(5-nitroindol-1-yl)-N-(9H-xanthen-9-yl)acetamide?
The canonical SMILES for 2-(5-nitroindol-1-yl)-N-(9H-xanthen-9-yl)acetamide is O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1c2ccccc2Oc2ccccc21.
What is the InChIKey of 2-(5-nitroindol-1-yl)-N-(9H-xanthen-9-yl)acetamide?
The InChIKey is WFQTZKQLRAQYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4/c27-22(14-25-12-11-15-13-16(26(28)29)9-10-19(15)25)24-23-17-5-1-3-7-20(17)30-21-8-4-2-6-18(21)23/h1-13,23H,14H2,(H,24,27).
What are the key properties of 2-(5-nitroindol-1-yl)-N-(9H-xanthen-9-yl)acetamide?
2-(5-nitroindol-1-yl)-N-(9H-xanthen-9-yl)acetamide has a molecular weight of 399.41 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitroindol-1-yl)-N-(9H-xanthen-9-yl)acetamide is sourced from PubChem (CID 56547425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).