N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide

C14H13BrN2OS — CID 80567333

IUPACN-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NCc1sccc1Br)C1CNc2ccccc21
InChIInChI=1S/C14H13BrN2OS/c15-11-5-6-19-13(11)8-17-14(18)10-7-16-12-4-2-1-3-9(10)12/h1-6,10,16H,7-8H2,(H,17,18)
InChIKeyCEWUJHMWRSEDDA-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.34
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide

N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80567333) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80567333
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NCc1sccc1Br)C1CNc2ccccc21
InChIInChI=1S/C14H13BrN2OS/c15-11-5-6-19-13(11)8-17-14(18)10-7-16-12-4-2-1-3-9(10)12/h1-6,10,16H,7-8H2,(H,17,18)
InChIKeyCEWUJHMWRSEDDA-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566085
N-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 78985906
N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567109
N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 115406896
N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide
CID 131165790
N-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46449099
4-(2,3-dihydro-1H-indole-3-carbonylamino)butanoic acid
CID 80565766
N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566002
N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 113463842
(3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81134006
N-hexyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565289
N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565871

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide (CID 80567333) is N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide is O=C(NCc1sccc1Br)C1CNc2ccccc21.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is CEWUJHMWRSEDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c15-11-5-6-19-13(11)8-17-14(18)10-7-16-12-4-2-1-3-9(10)12/h1-6,10,16H,7-8H2,(H,17,18).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 337.24 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80567333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).