6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide

C20H26BrN3O2 — CID 39430292

IUPAC6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C20H26BrN3O2/c21-16-5-4-15-12-18(23-17(15)13-16)19(25)22-14-20(6-2-1-3-7-20)24-8-10-26-11-9-24/h4-5,12-13,23H,1-3,6-11,14H2,(H,22,25)
InChIKeyMNQBYRPPPNKQPV-UHFFFAOYSA-N
MW420.35 g/mol
LogP3.70
Rot. Bonds4

About 6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide

6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide (PubChem CID 39430292) has the molecular formula C20H26BrN3O2 and a molecular weight of 420.35 g/mol. Its IUPAC name is 6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide
PubChem CID39430292
Molecular FormulaC20H26BrN3O2
Molecular Weight420.35 g/mol
Exact Mass419.12
IUPAC Name6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C20H26BrN3O2/c21-16-5-4-15-12-18(23-17(15)13-16)19(25)22-14-20(6-2-1-3-7-20)24-8-10-26-11-9-24/h4-5,12-13,23H,1-3,6-11,14H2,(H,22,25)
InChIKeyMNQBYRPPPNKQPV-UHFFFAOYSA-N
XLogP3.70
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 52984463
5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide
CID 30255015
3-bromo-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide
CID 18150703
(E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 37259528
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 55451163
6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 39977668
5-chloro-2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150722
N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide
CID 46512703
2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide
CID 56711486
2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028
3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 51340136

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide (CID 39430292) is 6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide is O=C(NCC1(N2CCOCC2)CCCCC1)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is MNQBYRPPPNKQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN3O2/c21-16-5-4-15-12-18(23-17(15)13-16)19(25)22-14-20(6-2-1-3-7-20)24-8-10-26-11-9-24/h4-5,12-13,23H,1-3,6-11,14H2,(H,22,25).
What are the key properties of 6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide?
6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 420.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 39430292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).