N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-1H-indole-2-carboxamide

C23H26ClN3O2 — CID 56500994

IUPACN-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-1H-indole-2-carboxamide
SMILESCC(CN1CCOCC1)N(Cc1ccccc1)C(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C23H26ClN3O2/c1-17(15-26-9-11-29-12-10-26)27(16-18-5-3-2-4-6-18)23(28)22-14-19-13-20(24)7-8-21(19)25-22/h2-8,13-14,17,25H,9-12,15-16H2,1H3
InChIKeyCDXYFQGAHYLTCC-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.18
Rot. Bonds6

About N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-1H-indole-2-carboxamide

N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-1H-indole-2-carboxamide (PubChem CID 56500994) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-1H-indole-2-carboxamide
PubChem CID56500994
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC NameN-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-1H-indole-2-carboxamide
SMILESCC(CN1CCOCC1)N(Cc1ccccc1)C(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C23H26ClN3O2/c1-17(15-26-9-11-29-12-10-26)27(16-18-5-3-2-4-6-18)23(28)22-14-19-13-20(24)7-8-21(19)25-22/h2-8,13-14,17,25H,9-12,15-16H2,1H3
InChIKeyCDXYFQGAHYLTCC-UHFFFAOYSA-N
XLogP4.18
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-benzyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 113207051
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2-amino-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 119877071
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 93077025
N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
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N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-phenoxypropanamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-1H-indole-2-carboxamide (CID 56500994) is N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-1H-indole-2-carboxamide is CC(CN1CCOCC1)N(Cc1ccccc1)C(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-1H-indole-2-carboxamide?
The InChIKey is CDXYFQGAHYLTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-17(15-26-9-11-29-12-10-26)27(16-18-5-3-2-4-6-18)23(28)22-14-19-13-20(24)7-8-21(19)25-22/h2-8,13-14,17,25H,9-12,15-16H2,1H3.
What are the key properties of N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-1H-indole-2-carboxamide?
N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-1H-indole-2-carboxamide has a molecular weight of 411.93 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 56500994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).