6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide

C14H15BrN2O — CID 172654835

IUPAC6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NCC2CC2)c2ccc(Br)cc21
InChIInChI=1S/C14H15BrN2O/c1-17-8-12(14(18)16-7-9-2-3-9)11-5-4-10(15)6-13(11)17/h4-6,8-9H,2-3,7H2,1H3,(H,16,18)
InChIKeyJLQSHTDGWVYWGU-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.08
Rot. Bonds3

About 6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide

6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide (PubChem CID 172654835) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide
PubChem CID172654835
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NCC2CC2)c2ccc(Br)cc21
InChIInChI=1S/C14H15BrN2O/c1-17-8-12(14(18)16-7-9-2-3-9)11-5-4-10(15)6-13(11)17/h4-6,8-9H,2-3,7H2,1H3,(H,16,18)
InChIKeyJLQSHTDGWVYWGU-UHFFFAOYSA-N
XLogP3.08
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 106122361
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide
CID 172654547
4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 51093597
5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 47080623
5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide
CID 71754032
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106137131
1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide
CID 136520105
4-[[(5-bromo-2-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526397
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1-methylindol-3-yl)-6-iodoquinoline-4-carboxamide
CID 18729870
4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide
CID 47435885
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide?
The IUPAC name of 6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide (CID 172654835) is 6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide?
The canonical SMILES for 6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide is Cn1cc(C(=O)NCC2CC2)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide?
The InChIKey is JLQSHTDGWVYWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-17-8-12(14(18)16-7-9-2-3-9)11-5-4-10(15)6-13(11)17/h4-6,8-9H,2-3,7H2,1H3,(H,16,18).
What are the key properties of 6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide?
6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide has a molecular weight of 307.19 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide is sourced from PubChem (CID 172654835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).