ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate

C17H16N2O2 — CID 134835195

IUPACethyl N-[2-(1H-indol-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C17H16N2O2/c1-2-21-17(20)19-15-10-6-4-8-13(15)16-11-12-7-3-5-9-14(12)18-16/h3-11,18H,2H2,1H3,(H,19,20)
InChIKeyZYTAJTJJCFCNKH-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.40
Rot. Bonds3

About ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate

ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate (PubChem CID 134835195) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(1H-indol-2-yl)phenyl]carbamate
PubChem CID134835195
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Nameethyl N-[2-(1H-indol-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C17H16N2O2/c1-2-21-17(20)19-15-10-6-4-8-13(15)16-11-12-7-3-5-9-14(12)18-16/h3-11,18H,2H2,1H3,(H,19,20)
InChIKeyZYTAJTJJCFCNKH-UHFFFAOYSA-N
XLogP4.40
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[2-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)phenyl]carbamate
CID 123152524
1-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea
CID 46384315
1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea
CID 20972909
N-[2-(5-methyl-1H-indol-2-yl)phenyl]acetamide
CID 134835281
N-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide
CID 3687205
2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide
CID 91534823
ethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)phenyl]carbamate
CID 123863775
1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea
CID 46384330
N-[2-(5-methoxy-1H-indol-2-yl)phenyl]acetamide
CID 10731437
1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea
CID 70903237
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
[2-(1H-indol-2-yl)phenyl] acetate
CID 155537678

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate?
The IUPAC name of ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate (CID 134835195) is ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate?
The canonical SMILES for ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate is CCOC(=O)Nc1ccccc1-c1cc2ccccc2[nH]1.
What is the InChIKey of ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate?
The InChIKey is ZYTAJTJJCFCNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-21-17(20)19-15-10-6-4-8-13(15)16-11-12-7-3-5-9-14(12)18-16/h3-11,18H,2H2,1H3,(H,19,20).
What are the key properties of ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate?
ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate has a molecular weight of 280.33 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate is sourced from PubChem (CID 134835195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).