N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide

C17H16N2O2 — CID 103945364

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1cccc2cc[nH]c12
InChIInChI=1S/C17H16N2O2/c20-11-15(12-5-2-1-3-6-12)19-17(21)14-8-4-7-13-9-10-18-16(13)14/h1-10,15,18,20H,11H2,(H,19,21)/t15-/m1/s1
InChIKeyUKNOOZHJJLKULQ-OAHLLOKOSA-N
MW280.33 g/mol
LogP2.63
Rot. Bonds4

About N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide

N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide (PubChem CID 103945364) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide
PubChem CID103945364
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1cccc2cc[nH]c12
InChIInChI=1S/C17H16N2O2/c20-11-15(12-5-2-1-3-6-12)19-17(21)14-8-4-7-13-9-10-18-16(13)14/h1-10,15,18,20H,11H2,(H,19,21)/t15-/m1/s1
InChIKeyUKNOOZHJJLKULQ-OAHLLOKOSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide
CID 71983052
N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide
CID 97228097
N-[(1R)-2-hydroxy-1-phenylethyl]-2-iodobenzamide
CID 103772803
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 103945014
3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid
CID 75512233
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide
CID 10044629
3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 58736733
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide
CID 103945018
N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide
CID 63182576
2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 107861897

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide (CID 103945364) is N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide is O=C(N[C@H](CO)c1ccccc1)c1cccc2cc[nH]c12.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide?
The InChIKey is UKNOOZHJJLKULQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-11-15(12-5-2-1-3-6-12)19-17(21)14-8-4-7-13-9-10-18-16(13)14/h1-10,15,18,20H,11H2,(H,19,21)/t15-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 103945364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).