7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide

C14H15BrN2O — CID 171662965

IUPAC7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NC2CCC2)cc2cccc(Br)c21
InChIInChI=1S/C14H15BrN2O/c1-17-12(14(18)16-10-5-3-6-10)8-9-4-2-7-11(15)13(9)17/h2,4,7-8,10H,3,5-6H2,1H3,(H,16,18)
InChIKeyRCLRCLUWFCMFPY-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.22
Rot. Bonds2

About 7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide

7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide (PubChem CID 171662965) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide
PubChem CID171662965
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NC2CCC2)cc2cccc(Br)c21
InChIInChI=1S/C14H15BrN2O/c1-17-12(14(18)16-10-5-3-6-10)8-9-4-2-7-11(15)13(9)17/h2,4,7-8,10H,3,5-6H2,1H3,(H,16,18)
InChIKeyRCLRCLUWFCMFPY-UHFFFAOYSA-N
XLogP3.22
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82379701
1-methyl-N-piperidin-4-ylindole-2-carboxamide
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N-cyclopropyl-1,4-dimethylindole-2-carboxamide
CID 110847973
7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide
CID 156607520
7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide
CID 110847862
4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide
CID 55211463
1-methyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 142244434
8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide
CID 171661881
N-cyclohexyl-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 4524648
2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid
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N-cyclopropyl-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
CID 53004577

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide?
The IUPAC name of 7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide (CID 171662965) is 7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide.
What is the SMILES notation for 7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide?
The canonical SMILES for 7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide is Cn1c(C(=O)NC2CCC2)cc2cccc(Br)c21.
What is the InChIKey of 7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide?
The InChIKey is RCLRCLUWFCMFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-17-12(14(18)16-10-5-3-6-10)8-9-4-2-7-11(15)13(9)17/h2,4,7-8,10H,3,5-6H2,1H3,(H,16,18).
What are the key properties of 7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide?
7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide has a molecular weight of 307.19 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide is sourced from PubChem (CID 171662965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).