N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide

C17H16N2O2 — CID 61221955

IUPACN-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H16N2O2/c20-10-9-12-5-7-13(8-6-12)19-17(21)15-11-18-16-4-2-1-3-14(15)16/h1-8,11,18,20H,9-10H2,(H,19,21)
InChIKeySKQRSMPRTRXMPE-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.95
Rot. Bonds4

About N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide

N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide (PubChem CID 61221955) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
PubChem CID61221955
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H16N2O2/c20-10-9-12-5-7-13(8-6-12)19-17(21)15-11-18-16-4-2-1-3-14(15)16/h1-8,11,18,20H,9-10H2,(H,19,21)
InChIKeySKQRSMPRTRXMPE-UHFFFAOYSA-N
XLogP2.95
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-1H-indole-3-carboxamide;molecular hydrogen
CID 159635618
N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 17447542
N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 61221414
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217
2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid
CID 61236618
N-(3,5-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399253
N-[2-(4-hydroxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 61017782
propan-2-yl 4-(1H-indole-3-carbonylamino)benzoate
CID 39964134
N-(6-fluoro-3-pyridinyl)-1H-indole-3-carboxamide
CID 103789953
N-pyridin-3-yl-1H-indole-3-carboxamide
CID 43399328
N-(2-hydroxyphenyl)-1H-indole-3-carboxamide
CID 57210773

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide (CID 61221955) is N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide is O=C(Nc1ccc(CCO)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide?
The InChIKey is SKQRSMPRTRXMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-10-9-12-5-7-13(8-6-12)19-17(21)15-11-18-16-4-2-1-3-14(15)16/h1-8,11,18,20H,9-10H2,(H,19,21).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide?
N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 61221955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).