N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide

C15H12BrClN2OS — CID 55559287

IUPACN-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H12BrClN2OS/c1-19(8-11-3-5-14(16)21-11)15(20)13-7-9-6-10(17)2-4-12(9)18-13/h2-7,18H,8H2,1H3
InChIKeyNVGQISOEZJOVKL-UHFFFAOYSA-N
MW383.70 g/mol
LogP4.92
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide (PubChem CID 55559287) has the molecular formula C15H12BrClN2OS and a molecular weight of 383.70 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide
PubChem CID55559287
Molecular FormulaC15H12BrClN2OS
Molecular Weight383.70 g/mol
Exact Mass381.95
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H12BrClN2OS/c1-19(8-11-3-5-14(16)21-11)15(20)13-7-9-6-10(17)2-4-12(9)18-13/h2-7,18H,8H2,1H3
InChIKeyNVGQISOEZJOVKL-UHFFFAOYSA-N
XLogP4.92
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.70
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 27839407
5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide
CID 111542931
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide
CID 112843310
5-amino-N-[(5-bromothiophen-2-yl)methyl]-1H-indole-2-carboxamide
CID 63118425
N-[(5-bromothiophen-2-yl)methyl]-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 55360454
N-[(5-bromothiophen-2-yl)methyl]-5-(4-chlorophenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 16596863
N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide
CID 9108829
(3S)-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 8530328
3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 9108801
5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide
CID 47024404

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide (CID 55559287) is N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide is CN(Cc1ccc(Br)s1)C(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide?
The InChIKey is NVGQISOEZJOVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2OS/c1-19(8-11-3-5-14(16)21-11)15(20)13-7-9-6-10(17)2-4-12(9)18-13/h2-7,18H,8H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide has a molecular weight of 383.70 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 55559287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).