[2-(1H-indol-7-ylcarbamoyl)phenyl] acetate

C17H14N2O3 — CID 69027217

IUPAC[2-(1H-indol-7-ylcarbamoyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1cccc2cc[nH]c12
InChIInChI=1S/C17H14N2O3/c1-11(20)22-15-8-3-2-6-13(15)17(21)19-14-7-4-5-12-9-10-18-16(12)14/h2-10,18H,1H3,(H,19,21)
InChIKeyHGJKDKZFFNGWHJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.35
Rot. Bonds3

About [2-(1H-indol-7-ylcarbamoyl)phenyl] acetate

[2-(1H-indol-7-ylcarbamoyl)phenyl] acetate (PubChem CID 69027217) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is [2-(1H-indol-7-ylcarbamoyl)phenyl] acetate.

Molecular Properties

Compound Name[2-(1H-indol-7-ylcarbamoyl)phenyl] acetate
PubChem CID69027217
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name[2-(1H-indol-7-ylcarbamoyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1cccc2cc[nH]c12
InChIInChI=1S/C17H14N2O3/c1-11(20)22-15-8-3-2-6-13(15)17(21)19-14-7-4-5-12-9-10-18-16(12)14/h2-10,18H,1H3,(H,19,21)
InChIKeyHGJKDKZFFNGWHJ-UHFFFAOYSA-N
XLogP3.35
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2,3-dichlorophenyl)carbamoyl]phenyl] acetate
CID 3368365
[2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate
CID 720313
N-(2-methyl-3-pyridinyl)-1H-indole-7-carboxamide
CID 79044351
(Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one
CID 11820554
[2-[(4-iodophenyl)carbamoyl]phenyl] acetate
CID 3361929
[2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate
CID 3361206
N-(1H-indol-4-yl)-1H-indole-7-carboxamide
CID 112526402
[2-(acetylcarbamoyl)phenyl] acetate
CID 12538006
N-(1H-indol-7-yl)-2,4-dimethylfuran-3-carboxamide
CID 112526566
dimethyl 2-[(2-acetyloxybenzoyl)amino]benzene-1,4-dicarboxylate
CID 986664
N-(4-fluoro-2-iodophenyl)-1H-indole-7-carboxamide
CID 79766058
methyl 1H-indole-7-carboxylate;hydrochloride
CID 175318571

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-7-ylcarbamoyl)phenyl] acetate?
The IUPAC name of [2-(1H-indol-7-ylcarbamoyl)phenyl] acetate (CID 69027217) is [2-(1H-indol-7-ylcarbamoyl)phenyl] acetate.
What is the SMILES notation for [2-(1H-indol-7-ylcarbamoyl)phenyl] acetate?
The canonical SMILES for [2-(1H-indol-7-ylcarbamoyl)phenyl] acetate is CC(=O)Oc1ccccc1C(=O)Nc1cccc2cc[nH]c12.
What is the InChIKey of [2-(1H-indol-7-ylcarbamoyl)phenyl] acetate?
The InChIKey is HGJKDKZFFNGWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11(20)22-15-8-3-2-6-13(15)17(21)19-14-7-4-5-12-9-10-18-16(12)14/h2-10,18H,1H3,(H,19,21).
What are the key properties of [2-(1H-indol-7-ylcarbamoyl)phenyl] acetate?
[2-(1H-indol-7-ylcarbamoyl)phenyl] acetate has a molecular weight of 294.31 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-7-ylcarbamoyl)phenyl] acetate is sourced from PubChem (CID 69027217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).