(4-acetamidophenyl) 1H-indole-2-carboxylate

C17H14N2O3 — CID 51152616

IUPAC(4-acetamidophenyl) 1H-indole-2-carboxylate
SMILESCC(=O)Nc1ccc(OC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H14N2O3/c1-11(20)18-13-6-8-14(9-7-13)22-17(21)16-10-12-4-2-3-5-15(12)19-16/h2-10,19H,1H3,(H,18,20)
InChIKeyBKQMZFAOEDZJIZ-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.35
Rot. Bonds3

About (4-acetamidophenyl) 1H-indole-2-carboxylate

(4-acetamidophenyl) 1H-indole-2-carboxylate (PubChem CID 51152616) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is (4-acetamidophenyl) 1H-indole-2-carboxylate.

Molecular Properties

Compound Name(4-acetamidophenyl) 1H-indole-2-carboxylate
PubChem CID51152616
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name(4-acetamidophenyl) 1H-indole-2-carboxylate
SMILESCC(=O)Nc1ccc(OC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H14N2O3/c1-11(20)18-13-6-8-14(9-7-13)22-17(21)16-10-12-4-2-3-5-15(12)19-16/h2-10,19H,1H3,(H,18,20)
InChIKeyBKQMZFAOEDZJIZ-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

(3,5-dimethylphenyl) 1H-indole-2-carboxylate
CID 150748218
(4-nitrophenyl) 1H-indole-2-carboxylate
CID 19897924
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 43015219
chloro 1H-indole-2-carboxylate
CID 68813525
3-(1H-indole-2-carbonyloxy)benzoic acid
CID 71564706
(4-acetamidophenyl) 1-benzothiophene-2-carboxylate
CID 27845456
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 27269010
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723461
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
[2-(4-acetamidophenyl)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
CID 34506353
butyl 1H-indole-2-carboxylate
CID 54052397
[4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]phenyl] 1H-indole-2-carboxylate
CID 166626466

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 1H-indole-2-carboxylate?
The IUPAC name of (4-acetamidophenyl) 1H-indole-2-carboxylate (CID 51152616) is (4-acetamidophenyl) 1H-indole-2-carboxylate.
What is the SMILES notation for (4-acetamidophenyl) 1H-indole-2-carboxylate?
The canonical SMILES for (4-acetamidophenyl) 1H-indole-2-carboxylate is CC(=O)Nc1ccc(OC(=O)c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of (4-acetamidophenyl) 1H-indole-2-carboxylate?
The InChIKey is BKQMZFAOEDZJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11(20)18-13-6-8-14(9-7-13)22-17(21)16-10-12-4-2-3-5-15(12)19-16/h2-10,19H,1H3,(H,18,20).
What are the key properties of (4-acetamidophenyl) 1H-indole-2-carboxylate?
(4-acetamidophenyl) 1H-indole-2-carboxylate 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 (4-acetamidophenyl) 1H-indole-2-carboxylate is sourced from PubChem (CID 51152616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).