N-[3-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide

C17H16N2O2 — CID 127047185

IUPACN-[3-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide
SMILESCC(O)c1cccc(NC(=O)c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C17H16N2O2/c1-11(20)12-6-4-7-14(9-12)18-17(21)16-10-13-5-2-3-8-15(13)19-16/h2-11,19-20H,1H3,(H,18,21)
InChIKeyYVUUPGPELJCKGO-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.47
Rot. Bonds3

About N-[3-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide

N-[3-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 127047185) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[3-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide
PubChem CID127047185
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[3-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide
SMILESCC(O)c1cccc(NC(=O)c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C17H16N2O2/c1-11(20)12-6-4-7-14(9-12)18-17(21)16-10-13-5-2-3-8-15(13)19-16/h2-11,19-20H,1H3,(H,18,21)
InChIKeyYVUUPGPELJCKGO-UHFFFAOYSA-N
XLogP3.47
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 589138
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CID 23648426
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CID 10042315
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CID 44473112
CID 44473112
CID 44473113
CID 44473113
CID 44520836
CID 44520836
CID 44520840
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CID 44520841
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CID 130362493
CID 130362493
CID 4355644
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CID 44520837
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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide (CID 127047185) is N-[3-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide is CC(O)c1cccc(NC(=O)c2cc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is YVUUPGPELJCKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11(20)12-6-4-7-14(9-12)18-17(21)16-10-13-5-2-3-8-15(13)19-16/h2-11,19-20H,1H3,(H,18,21).
What are the key properties of N-[3-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide?
N-[3-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 127047185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).