5-chloro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indole-2-carboxamide

C18H24ClN3O2 — CID 46576170

IUPAC5-chloro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indole-2-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)C1
InChIInChI=1S/C18H24ClN3O2/c1-12(2)10-22-5-6-24-15(11-22)9-20-18(23)17-8-13-7-14(19)3-4-16(13)21-17/h3-4,7-8,12,15,21H,5-6,9-11H2,1-2H3,(H,20,23)
InChIKeyMFPMAHIOWAJSPX-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.91
Rot. Bonds5

About 5-chloro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indole-2-carboxamide

5-chloro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 46576170) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 5-chloro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indole-2-carboxamide
PubChem CID46576170
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name5-chloro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indole-2-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)C1
InChIInChI=1S/C18H24ClN3O2/c1-12(2)10-22-5-6-24-15(11-22)9-20-18(23)17-8-13-7-14(19)3-4-16(13)21-17/h3-4,7-8,12,15,21H,5-6,9-11H2,1-2H3,(H,20,23)
InChIKeyMFPMAHIOWAJSPX-UHFFFAOYSA-N
XLogP2.91
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24642416
2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide
CID 35365780
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide
CID 39483842
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501
(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034136
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indazole-3-carboxamide
CID 30538306
4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 17479762
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 30538422
5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 46523422
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51216467
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-2-carboxamide
CID 78822251

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indole-2-carboxamide (CID 46576170) is 5-chloro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indole-2-carboxamide is CC(C)CN1CCOC(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)C1.
What is the InChIKey of 5-chloro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is MFPMAHIOWAJSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-12(2)10-22-5-6-24-15(11-22)9-20-18(23)17-8-13-7-14(19)3-4-16(13)21-17/h3-4,7-8,12,15,21H,5-6,9-11H2,1-2H3,(H,20,23).
What are the key properties of 5-chloro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indole-2-carboxamide?
5-chloro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 349.86 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 46576170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).