N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide

C13H13BrN2O — CID 47438912

IUPACN-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide
SMILESC=C(Br)CNC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C13H13BrN2O/c1-8(14)7-15-13(17)12-9(2)16-11-6-4-3-5-10(11)12/h3-6,16H,1,7H2,2H3,(H,15,17)
InChIKeyIMTLCDIRFNMTDD-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.11
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide

N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide (PubChem CID 47438912) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide
PubChem CID47438912
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC NameN-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide
SMILESC=C(Br)CNC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C13H13BrN2O/c1-8(14)7-15-13(17)12-9(2)16-11-6-4-3-5-10(11)12/h3-6,16H,1,7H2,2H3,(H,15,17)
InChIKeyIMTLCDIRFNMTDD-UHFFFAOYSA-N
XLogP3.11
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
N-(cyclopropylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 34829550
N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide
CID 111825055
3-methyl-4-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid
CID 81063960
2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid
CID 106107981
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1H-indole-3-carboxamide
CID 103690934
3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid
CID 81066281
2-methyl-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide
CID 32986974
2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid
CID 63930965
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
CID 170645728
CID 170645728
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methyl-1H-indole-3-carboxamide
CID 75369929

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide (CID 47438912) is N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide is C=C(Br)CNC(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide?
The InChIKey is IMTLCDIRFNMTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-8(14)7-15-13(17)12-9(2)16-11-6-4-3-5-10(11)12/h3-6,16H,1,7H2,2H3,(H,15,17).
What are the key properties of N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide?
N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide has a molecular weight of 293.16 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 47438912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).