N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide

C17H15ClN2O2 — CID 111477059

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1cccc2cc[nH]c12
InChIInChI=1S/C17H15ClN2O2/c18-13-6-4-11(5-7-13)15(21)10-20-17(22)14-3-1-2-12-8-9-19-16(12)14/h1-9,15,19,21H,10H2,(H,20,22)
InChIKeyZTZKFDUCNRGJIJ-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.28
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide (PubChem CID 111477059) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide
PubChem CID111477059
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1cccc2cc[nH]c12
InChIInChI=1S/C17H15ClN2O2/c18-13-6-4-11(5-7-13)15(21)10-20-17(22)14-3-1-2-12-8-9-19-16(12)14/h1-9,15,19,21H,10H2,(H,20,22)
InChIKeyZTZKFDUCNRGJIJ-UHFFFAOYSA-N
XLogP3.28
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide
CID 110885725
N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide
CID 83030773
N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide
CID 97228097
(2S)-2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006652
N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138042614
2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006316
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid
CID 81066304
N-(2-pyrrolidin-1-ylpropyl)-1H-indole-7-carboxamide
CID 79035908
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 167783306
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide
CID 103945364

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide (CID 111477059) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide is O=C(NCC(O)c1ccc(Cl)cc1)c1cccc2cc[nH]c12.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide?
The InChIKey is ZTZKFDUCNRGJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-13-6-4-11(5-7-13)15(21)10-20-17(22)14-3-1-2-12-8-9-19-16(12)14/h1-9,15,19,21H,10H2,(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 111477059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).