3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide

C13H13BrN2OS — CID 113228249

IUPAC3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
SMILESNc1cccc(C(=O)NCCc2ccc(Br)s2)c1
InChIInChI=1S/C13H13BrN2OS/c14-12-5-4-11(18-12)6-7-16-13(17)9-2-1-3-10(15)8-9/h1-5,8H,6-7,15H2,(H,16,17)
InChIKeyYYNQXMSEISCMQT-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.07
Rot. Bonds4

About 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide

3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide (PubChem CID 113228249) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
PubChem CID113228249
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
SMILESNc1cccc(C(=O)NCCc2ccc(Br)s2)c1
InChIInChI=1S/C13H13BrN2OS/c14-12-5-4-11(18-12)6-7-16-13(17)9-2-1-3-10(15)8-9/h1-5,8H,6-7,15H2,(H,16,17)
InChIKeyYYNQXMSEISCMQT-UHFFFAOYSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-3-(chloromethyl)benzamide
CID 106033728
2,4-diamino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
CID 106033536
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide
CID 106042063
4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide
CID 103872156
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide
CID 106047985
4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 103790295
4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-1-methylpyrrole-2-carboxamide
CID 114138973
N-[2-(5-bromothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 105055798
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(chloromethyl)benzamide
CID 114138984
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide
CID 26082273
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide
CID 106050469
N-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide
CID 18154853

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide?
The IUPAC name of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide (CID 113228249) is 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide is Nc1cccc(C(=O)NCCc2ccc(Br)s2)c1.
What is the InChIKey of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide?
The InChIKey is YYNQXMSEISCMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c14-12-5-4-11(18-12)6-7-16-13(17)9-2-1-3-10(15)8-9/h1-5,8H,6-7,15H2,(H,16,17).
What are the key properties of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide?
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide has a molecular weight of 325.23 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 113228249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).