N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide

C16H17BrN2OS — CID 76895076

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C16H17BrN2OS/c1-2-19(10-12-7-8-15(17)21-12)16(20)14-9-11-5-3-4-6-13(11)18-14/h3-8,14,18H,2,9-10H2,1H3
InChIKeyNZQUDIQTTLSUCU-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.90
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76895076) has the molecular formula C16H17BrN2OS and a molecular weight of 365.30 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76895076
Molecular FormulaC16H17BrN2OS
Molecular Weight365.30 g/mol
Exact Mass364.02
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C16H17BrN2OS/c1-2-19(10-12-7-8-15(17)21-12)16(20)14-9-11-5-3-4-6-13(11)18-14/h3-8,14,18H,2,9-10H2,1H3
InChIKeyNZQUDIQTTLSUCU-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide (CID 76895076) is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide is CCN(Cc1ccc(Br)s1)C(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is NZQUDIQTTLSUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2OS/c1-2-19(10-12-7-8-15(17)21-12)16(20)14-9-11-5-3-4-6-13(11)18-14/h3-8,14,18H,2,9-10H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 365.30 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76895076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).