5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide

C16H19BrN2O — CID 25362200

IUPAC5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H19BrN2O/c1-10-4-2-3-5-14(10)19-16(20)13-9-18-15-7-6-11(17)8-12(13)15/h6-10,14,18H,2-5H2,1H3,(H,19,20)/t10-,14-/m1/s1
InChIKeyUAEYBPUNSDSWRW-QMTHXVAHSA-N
MW335.25 g/mol
LogP4.24
Rot. Bonds2

About 5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide

5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide (PubChem CID 25362200) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide
PubChem CID25362200
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H19BrN2O/c1-10-4-2-3-5-14(10)19-16(20)13-9-18-15-7-6-11(17)8-12(13)15/h6-10,14,18H,2-5H2,1H3,(H,19,20)/t10-,14-/m1/s1
InChIKeyUAEYBPUNSDSWRW-QMTHXVAHSA-N
XLogP4.24
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-cyclopentyl-1H-indole-3-carboxamide
CID 172654540
4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide
CID 63524339
2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide
CID 7117325
4-bromo-N-(2-methylcycloheptyl)-2-sulfanylbenzamide
CID 107031479
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
(5-bromo-1H-indol-3-yl)-cyclopentylmethanone
CID 43162090
5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide
CID 172654541
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide
CID 107211254
(5-bromo-1H-indol-3-yl)-cycloheptylmethanone
CID 63491644
5-bromo-1H-indole-3-carbohydrazide
CID 156904296
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide (CID 25362200) is 5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide is C[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide?
The InChIKey is UAEYBPUNSDSWRW-QMTHXVAHSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-10-4-2-3-5-14(10)19-16(20)13-9-18-15-7-6-11(17)8-12(13)15/h6-10,14,18H,2-5H2,1H3,(H,19,20)/t10-,14-/m1/s1.
What are the key properties of 5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide?
5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide has a molecular weight of 335.25 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 25362200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).