5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide

C20H21ClN2O2 — CID 38557691

IUPAC5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCC(C)OCc1ccccc1CNC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H21ClN2O2/c1-13(2)25-12-15-6-4-3-5-14(15)11-22-20(24)19-10-16-9-17(21)7-8-18(16)23-19/h3-10,13,23H,11-12H2,1-2H3,(H,22,24)
InChIKeyRJOUDYAIVVTRQG-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.68
Rot. Bonds6

About 5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide

5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 38557691) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
PubChem CID38557691
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCC(C)OCc1ccccc1CNC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H21ClN2O2/c1-13(2)25-12-15-6-4-3-5-14(15)11-22-20(24)19-10-16-9-17(21)7-8-18(16)23-19/h3-10,13,23H,11-12H2,1-2H3,(H,22,24)
InChIKeyRJOUDYAIVVTRQG-UHFFFAOYSA-N
XLogP4.68
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
CID 46558117
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647
methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate
CID 46559753
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide
CID 111662774
2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 46599023
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 46921201
methyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]butanoate
CID 134034219
5-chloro-2-(propan-2-yloxymethyl)-1H-indole
CID 117176868
N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796
2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 46585246

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide (CID 38557691) is 5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide is CC(C)OCc1ccccc1CNC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is RJOUDYAIVVTRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-13(2)25-12-15-6-4-3-5-14(15)11-22-20(24)19-10-16-9-17(21)7-8-18(16)23-19/h3-10,13,23H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide?
5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 356.85 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 38557691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).